Flabellinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL513200 | |
| PubChem: | 11304872 | |
| IUPAC: | (2S,4aS,4bS,6aS,11aS,11bS,13aR)-10-methoxy-1,1,4a,6a,9,11b-hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydro-2H-indeno[2,1-a]phenanthrene-2,7-diol | |
| Standard InChI: | InChI=1S/C28H42O3/c1-16-14-18(29)23-17(24(16)31-7)15-21-27(5)11-8-19-25(2,3)22(30)10-13-26(19,4)20(27)9-12-28(21,23)6/h14,19-22,29-30H,8-13,15H2,1-7H3/t19-,20+,21-,22-,26+,27-,28-/m0/s1 | |
| Standard InChI Key: | PCJLFCANHKSKCL-XVDIEDCOSA-N | |
| SMILES: | COc1c(C)cc(c2c1C[C@@H]1[C@]2(C)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@H](C1(C)C)O)O | |
Molecular propeties
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| AlogP: | 6.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 426.31 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.786 | |
| Number of carbons: | 28 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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