(4As,10As)-1,1,4A-Trimethyl-7-Propan-2-Yl-2,3,4,9,10,10A-Hexahydrophenanthrene
Representations & DB's id
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| ChEBI: | CHEBI:86062 | |
|---|---|---|
| ChEMBL: | CHEMBL3343789 | |
| PubChem: | 6432211 | |
| IUPAC: | (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene | |
| Standard InChI: | InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1 | |
| Standard InChI Key: | QUUCYKKMFLJLFS-AZUAARDMSA-N | |
| SMILES: | CC(c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCCC1(C)C)C | |
Molecular propeties
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| AlogP: | 5.84 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 270.23 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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