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Basic Description
| Synonyms | Lupeol | 545-47-1 | Fagarasterol | Clerodol | Monogynol B | farganasterol | Fagarsterol | Lupenol | Triterpene lupeol | beta-Viscol | Lup-20(29)-en-3b-ol | .beta.-Viscol | UNII-O268W13H3O | Lup-20(29)-en-3beta-ol | CHEBI:6570 | Lup-20(29)-en-3-ol, (3b)- | (+)-Lupeol | Lup-20(29)-en-3-ol, |
|---|---|
| Specifications & Purity | 2mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
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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Class
Prenol lipids
- Subclass Triterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Triterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triterpenoids |
| Alternative Parents | Steroids and steroid derivatives Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Triterpenoid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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 | Baccharane triterpenoids |
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Associated Targets(Human)
CES1
Tchem
Liver carboxylesterase 1 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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PTPN1
Tchem
Tyrosine-protein phosphatase non-receptor type 1 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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TOP1
Tclin
DNA topoisomerase I (7553 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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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CES2
Tchem
Carboxylesterase 2 (583 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CES1
Tchem
Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
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CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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Calu-1 (518 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 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)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PANC-1 (6144 Activities)
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PC-3 (62116 Activities)
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Raji (5516 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL (619 Activities)
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SK-MEL-1 (285 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SW1353 (113 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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WISH (126 Activities)
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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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Associated Targets(non-human)
Ptpn1
Protein-tyrosine phosphatase 1B (270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cryz
Quinone oxidoreductase (288 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Micrococcus luteus (7463 Activities)
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Staphylococcus aureus (210822 Activities)
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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)
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Bacillus pumilus (984 Activities)
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Aspergillus niger (16508 Activities)
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Bacillus subtilis (32866 Activities)
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Mycobacterium avium (4587 Activities)
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Mycobacterium tuberculosis (203094 Activities)
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Saccharomyces cerevisiae (19171 Activities)
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Enterococcus faecalis (29875 Activities)
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Bacillus cereus (7522 Activities)
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Priestia megaterium (1154 Activities)
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Mycolicibacterium smegmatis (8003 Activities)
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Trypanosoma brucei brucei (13300 Activities)
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Plasmodium falciparum (966862 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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Trichomonas vaginalis (2376 Activities)
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Drosophila melanogaster (359 Activities)
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Caenorhabditis elegans (1055 Activities)
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Haemonchus contortus (724 Activities)
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Trichostrongylus colubriformis (210 Activities)
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Mus musculus (284745 Activities)
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Rattus norvegicus (775804 Activities)
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Human immunodeficiency virus 1 (70413 Activities)
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Staphylococcus saprophyticus (562 Activities)
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B16 (5829 Activities)
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LLC-PK1 (2135 Activities)
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RAW264.7 (28094 Activities)
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Vero (26788 Activities)
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BV-2 (3710 Activities)
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L6 (7924 Activities)
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J774 (3120 Activities)
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Syrian golden hamster (1610 Activities)
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Rela
Transcription factor p65 (175 Activities)
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dengue virus type 2 (2400 Activities)
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Phytophthora cactorum (113 Activities)
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Nfkbia
NF-kappa-B inhibitor alpha (54 Activities)
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MC3T3-E1 (421 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| Smiles | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| Isomeric 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)C |
| WGK Germany | 2 |
| RTECS | OK5763000 |
| Molecular Weight | 426.72 |
| Reaxy-Rn | 2063484 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2063484&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 210 °C |
|---|---|
| Molecular Weight | 426.700 g/mol |
| XLogP3 | 9.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 426.386 Da |
| Monoisotopic Mass | 426.386 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 766.000 |
| 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. 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). |
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