Dammar-20(22),24-Diene-3Beta,6Alpha,12Beta-Triol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1939360 | |
| PubChem: | 57391948 | |
| IUPAC: | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol | |
| Standard InChI: | InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+/t20-,21-,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1 | |
| Standard InChI Key: | JKPOYAJYRYOGBN-DUVBXBALSA-N | |
| SMILES: | CC(=CC/C=C(/[C@H]1CC[C@@]2([C@@H]1[C@H](O)C[C@H]1[C@@]2(C)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)C)C | |
Molecular propeties
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| AlogP: | 6.28 | |
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| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 458.38 | |
| Topological polar surface area: | 60.7 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.867 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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