18Alpha,19Beta-20(30)-Taraxasten-3Beta,21Alpha-Diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL466142 | |
| PubChem: | 24878961 | |
| IUPAC: | (3S,4aR,6aR,6aR,6bR,8aS,10R,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,10-diol | |
| Standard InChI: | InChI=1S/C30H50O2/c1-18-19(2)25-20-9-10-23-28(6)13-12-24(32)26(3,4)22(28)11-14-30(23,8)29(20,7)16-15-27(25,5)17-21(18)31/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24-,25+,27-,28-,29+,30+/m0/s1 | |
| Standard InChI Key: | BRSGFKGWKATOQT-KDQNFVFXSA-N | |
| SMILES: | O[C@@H]1C[C@]2(C)CC[C@@]3([C@@H]([C@H]2[C@H](C1=C)C)CC[C@H]1[C@@]3(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C | |
Molecular propeties
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| AlogP: | 7 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 442.38 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.933 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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