(4As,10As)-4A-Methyl-1-Methylidene-7-Propan-2-Yl-2,3,4,9,10,10A-Hexahydrophenanthrene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL12576 | |
| PubChem: | 44268166 | |
| IUPAC: | (4aS,10aS)-4a-methyl-1-methylidene-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene | |
| Standard InChI: | InChI=1S/C19H26/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-13,17H,3,5-6,8-9,11H2,1-2,4H3/t17-,19-/m0/s1 | |
| Standard InChI Key: | ZPQHNIHJSIZREW-HKUYNNGSSA-N | |
| SMILES: | C=C1CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C | |
Molecular propeties
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| AlogP: | 5.37 | |
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| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 254.2 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.579 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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