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Description générale
| Synonymes | 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol | 2-Amino-2-ethylpropanediol | NCGC00168803-02 | NSC 4644 | Trochol | AI3-62999 | CP BETULIN | Lup-20(30)-ene-3.beta.,28-diol | Q419726 | Betuline | Betulinol (obsol.) | Diphesatin | ACon1_000091 | AKOS005267 |
|---|---|
| Spécifications et pureté | ≥98% |
| Mécanismes biochimiques et physiologiques | Betulin is a triterpene with a pentacyclic ring structure and hydroxyl groups in positions C3 and C28. Studies indicate that Betulin can effect intracellular signaling in ethanol-induced liver cells via inhibiting ROS, TNFα and TNFβ. In human cancer cells |
| Température de stockage | Store at 2-8°C |
| Expédié en |
Wet ice Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles. |
| Product Description |
A triterpene with a pentacyclic ring structure.It can be used in the preparation of betulinic acid，which shows anti-HIV, antimalarial and anti-inflammatory activities. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Classe
Prenol lipids
- Subclass Triterpenoids
-
Classe
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Classe | Prenol lipids |
| Subclass | Triterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triterpenoids |
| Alternative Parents | 18-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Triterpenoid - 18-hydroxysteroid - Hydroxysteroid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
| External Descriptors | Lupane triterpenoids |
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Cibles associées (humaines)
TOP1
Tclin
DNA topoisomerase I (7553 Activities)
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TOP2A
Tclin
DNA topoisomerase II alpha (6317 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ACHE
Tclin
Acetylcholinesterase (18204 Activities)
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PTGS2
Tclin
Cyclooxygenase-2 (13999 Activities)
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|---|
AMY2A
Tclin
Pancreatic alpha-amylase (74 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PRKCE
Tchem
Protein kinase C epsilon (1520 Activities)
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|---|
NR1H4
Tclin
Bile acid receptor FXR (6228 Activities)
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A-375 (9258 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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BGC-823 (3035 Activities)
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|---|
BXPC-3 (2997 Activities)
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CAKI-1 (44928 Activities)
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CAPAN-1 (772 Activities)
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CCRF-CEM (65223 Activities)
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|---|
DLD-1 (17511 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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K562 (73714 Activities)
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KM12 (47707 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
M14 (47487 Activities)
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|---|
MCF7 (126967 Activities)
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|---|
MOLT-4 (49676 Activities)
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MT4 (17854 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-5 (45555 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OVCAR-8 (47708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PANC-1 (6144 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PC-3 (62116 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Raji (5516 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SiHa (2051 Activities)
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|---|
SK-MEL-2 (46422 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SK-MEL-28 (48833 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL-5 (47095 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SN12C (47755 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SNB-19 (46794 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TK-10 (45540 Activities)
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|---|
U-251 (51189 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UACC-257 (46019 Activities)
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|---|
UO-31 (46270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
WI-38 VA13 (346 Activities)
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|---|
786-0 (47912 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ADR5000 cell line (115 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NCI/ADR-RES (33767 Activities)
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|---|
T47D (39041 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MIA PaCa-2 (5949 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cibles associées (non humaines)
pol
Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)
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Prkcb
Protein kinase C beta (2 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ENTPD1
Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Hdac6
Histone deacetylase 6 (222 Activities)
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Ptpn1
Protein-tyrosine phosphatase 1B (270 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Staphylococcus aureus (210822 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Staphylococcus epidermidis (22802 Activities)
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Escherichia coli (133304 Activities)
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Proteus mirabilis (3894 Activities)
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Salmonella (646 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Bacillus pumilus (984 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Bacillus subtilis (32866 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mycobacterium tuberculosis (203094 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Enterococcus faecalis (29875 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bacillus cereus (7522 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Priestia megaterium (1154 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Listeria innocua (140 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mycolicibacterium smegmatis (8003 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Trypanosoma brucei brucei (13300 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Candida albicans (78123 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human alphaherpesvirus 2 (4932 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human betaherpesvirus 5 (5122 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human alphaherpesvirus 1 (11089 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human immunodeficiency virus 1 (70413 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Semliki Forest virus (705 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Vesicular stomatitis virus (4460 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus saprophyticus (562 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human adenovirus 5 (897 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
B16 (5829 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MDCK (10148 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PC-12 (7051 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Vero (26788 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
BV-2 (3710 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NIH3T3 (5395 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
L929 (3802 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
J774 (3120 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Slc10a1
Bile acid transporter (65 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PYGM
Glycogen phosphorylase, muscle form (1331 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
BCHE
Cholinesterase (8742 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phytophthora cactorum (113 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Salmonella enterica subsp. enterica (623 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SARS-CoV-2 (38078 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mécanismes d'action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | Références |
|---|
Noms et identifiants
| Pubchem Sid | 504754652 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754652 |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| INCHI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Smiles | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| Isomères SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO |
| WGK Allemagne | 3 |
| RTECS | OK5755000 |
| Poids moléculaire | 442.72 |
| Beilstein | 6(3)5234 |
| Reaxy-Rn | 2064505 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064505&ln= |
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 K1925126 |
Certificate of Analysis | Sep 08, 2023 | B129170 |
| J1815138 |
Certificate of Analysis | Aug 05, 2022 | B129170 |
| E2223016 |
Certificate of Analysis | Mar 01, 2022 | B129170 |
| F2517011 |
Certificate of Analysis | Mar 01, 2022 | B129170 |
| E2223013 |
Certificate of Analysis | Mar 01, 2022 | B129170 |
| E2223015 |
Certificate of Analysis | Mar 01, 2022 | B129170 |
Propriétés chimiques et physiques
| Rotation spécifique [α] | 19° (C=2,Pyridine) |
|---|---|
| Point de fusion (°C) | 256-257°C |
| Poids moléculaire | 442.700 g/mol |
| XLogP3 | 8.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 442.381 Da |
| Monoisotopic Mass | 442.381 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 786.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Mingyi Yang, Zisheng Luo, Sunan Gao, Tarun Belwal, Lei Wang, Ming Qi, Zhaojun Ban, Bin Wu, Fengzhong Wang, Li Li. (2021) The chemical composition and potential role of epicuticular and intracuticular wax in four cultivars of table grapes. POSTHARVEST BIOLOGY AND TECHNOLOGY, 173 (111430). [PMID:] [10.1016/j.postharvbio.2020.111430] |
| 2. Jin Cong-Cong, Zhang Jin-Lai, Song Hao, Cao Ying-Xiu. (2019) Boosting the biosynthesis of betulinic acid and related triterpenoids in Yarrowia lipolytica via multimodular metabolic engineering. Microbial Cell Factories, 18 (1): (1-18). [PMID:31053076] [10.1186/s12934-019-1127-8] |
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