(1S,4S,5S,7S,9R,10S,13S,15S,16R)-5-(Hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15,16-triol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL255516 | |
| PubChem: | 24800713 | |
| IUPAC: | (1S,4S,5S,7S,9R,10S,13S,15S,16R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15,16-triol | |
| Standard InChI: | InChI=1S/C20H32O4/c1-11-13-4-5-15-19(3)9-12(22)8-18(2,10-21)14(19)6-7-20(15,16(11)23)17(13)24/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20-/m1/s1 | |
| Standard InChI Key: | CUGVUJOOXAEVRT-BASOQKIWSA-N | |
| SMILES: | OC[C@@]1(C)C[C@@H](O)C[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@H]([C@H]1O)C(=C)[C@@H]3O)C | |
Molecular propeties
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| AlogP: | 1.86 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 336.23 | |
| Topological polar surface area: | 80.9 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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