Ethyl (1R,4Ar,4Br,10Ar)-1,4A-Dimethyl-7-Propan-2-Yl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3358315 | |
| PubChem: | 61182 | |
| IUPAC: | ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate | |
| Standard InChI: | InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1 | |
| Standard InChI Key: | AGUBCDYYAKENKG-YVNJGZBMSA-N | |
| SMILES: | CCOC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C | |
Molecular propeties
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| AlogP: | 5.68 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 330.26 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.773 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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