8Beta-Hydroxyabieta-9(11),13-Dien-12-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL243549 | |
| PubChem: | 44427460 | |
| IUPAC: | (4bS,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one | |
| Standard InChI: | InChI=1S/C20H30O2/c1-13(2)14-12-20(22)10-7-16-18(3,4)8-6-9-19(16,5)17(20)11-15(14)21/h11-13,16,22H,6-10H2,1-5H3/t16-,19-,20+/m0/s1 | |
| Standard InChI Key: | DWDOXTINEVOYSV-FFZOFVMBSA-N | |
| SMILES: | CC(C1=C[C@]2(O)CC[C@@H]3[C@](C2=CC1=O)(C)CCCC3(C)C)C | |
Molecular propeties
| ||
| AlogP: | 4.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.22 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|