(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1867358 | |
| PubChem: | 11025495 | |
| IUPAC: | (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | |
| Standard InChI: | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1 | |
| Standard InChI Key: | HVYWMOMLDIMFJA-FNOPAARDSA-N | |
| SMILES: | CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)O)C)C | |
Molecular propeties
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| AlogP: | 7.39 | |
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| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 386.35 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.926 | |
| Number of carbons: | 27 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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