Dehydroabietic Acid
Representations & DB's id
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| ChEBI: | CHEBI:29571 | |
|---|---|---|
| ChEMBL: | CHEMBL12850 | |
| PubChem: | 94391 | |
| IUPAC: | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid | |
| Standard InChI: | InChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 | |
| Standard InChI Key: | NFWKVWVWBFBAOV-MISYRCLQSA-N | |
| SMILES: | OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C | |
Molecular propeties
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| AlogP: | 4.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.21 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.65 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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