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Basic Description
| Synonyms | ABIETIC ACID | 514-10-3 | Sylvic acid | Abietate | l-Abietic acid | Rosin Acid | 7,13-Abietadien-18-oic acid | Kyselina abietova | 13-Isopropylpodocarpa-7,13-dien-15-oic acid | CCRIS 3183 | Abietic acid, technical | Abietinic acid | EINECS 208-178-3 | NSC 25149 | UNII-V3DHX33184 | (-) |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Protected from light,Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Starting material for natural product synthesis. Epoxidation with MCPBA. |
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 Diterpenoids
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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 | Diterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diterpenoids |
| Alternative Parents | Hydrophenanthrenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Diterpenoid - Abietane diterpenoid - Phenanthrene - Hydrophenanthrene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
| External Descriptors | Abietane diterpenoids |
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Associated Targets(Human)
RARA
Tclin
Retinoic acid receptor alpha (1324 Activities)
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VDR
Tclin
Vitamin D receptor (26531 Activities)
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PTGS2
Tclin
Cyclooxygenase-2 (13999 Activities)
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PPARG
Tclin
Peroxisome proliferator-activated receptor gamma (15191 Activities)
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NR1H3
Tchem
LXR-alpha (2891 Activities)
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Homo sapiens (32628 Activities)
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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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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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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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LoVo (4724 Activities)
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M14 (47487 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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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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RXF 631 (11415 Activities)
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SF-295 (48000 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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SNB-78 (14240 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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XF498 (12972 Activities)
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A549 (127892 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-18 (11577 Activities)
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HOP-92 (41141 Activities)
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NCI-H460 (60772 Activities)
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Associated Targets(non-human)
Ppard
Peroxisome proliferator-activated receptor delta (358 Activities)
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Pseudomonas fluorescens (1630 Activities)
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Salmonella typhimurium (15756 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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Aspergillus flavus (8875 Activities)
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Aspergillus niger (16508 Activities)
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Bacillus subtilis (32866 Activities)
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Cutibacterium acnes (887 Activities)
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Pichia kudriavzevii (7448 Activities)
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Aspergillus fumigatus (16427 Activities)
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Plasmodium falciparum (966862 Activities)
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Candida albicans (78123 Activities)
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Candida parapsilosis (8521 Activities)
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Candida tropicalis (8381 Activities)
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Mus musculus (284745 Activities)
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Human alphaherpesvirus 1 (11089 Activities)
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Streptococcus mitis (390 Activities)
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RAW264.7 (28094 Activities)
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Vero (26788 Activities)
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Aspergillus terreus (892 Activities)
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rep
Replicase polyprotein 1ab (378 Activities)
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Gloeophyllum trabeum (56 Activities)
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Pdk1
Pyruvate dehydrogenase kinase (250 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,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
|---|---|
| INCHI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
| InChIKey | RSWGJHLUYNHPMX-ONCXSQPRSA-N |
| Smiles | CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C |
| Isomeric SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C |
| WGK Germany | 3 |
| RTECS | TP8580000 |
| Molecular Weight | 302.45 |
| Beilstein | 2221451 |
| Reaxy-Rn | 1915575 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915575&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | moisture & air&Light sensitive |
|---|---|
| Specific Rotation[α] | [α]20/D −85±10°, c = 1% in ethanol |
| Melt Point(°C) | 150-165 °C |
| Molecular Weight | 302.500 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 302.225 Da |
| Monoisotopic Mass | 302.225 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 542.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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. Ningning Tan, Yaohang Weng, Haijun Li, Bo Chen, Lan Zhao, Biao Huang, Beili Lu, Lirong Tang. (2025) Copper abietate/polyvinyl acetate composite film for enhanced humidity sensing in Chinese herbal medicine monitoring systems. SENSORS AND ACTUATORS B-CHEMICAL, 422 (136656). |
| 2. Yuxi Lu, Lei Huang, Wen Chen. (2024) Probing the role of hydrophobic groups on the performance of fatty acid surfactants for hematite flotation. JOURNAL OF MOLECULAR LIQUIDS, 411 (125674). |
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