Gomisin H
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL579261 | |
| PubChem: | 5317803 | |
| IUPAC: | (9S,10S)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,10-diol | |
| Standard InChI: | InChI=1S/C23H30O7/c1-12-8-13-9-15(26-3)20(28-5)19(24)17(13)18-14(11-23(12,2)25)10-16(27-4)21(29-6)22(18)30-7/h9-10,12,24-25H,8,11H2,1-7H3/t12-,23-/m0/s1 | |
| Standard InChI Key: | NLJJSPKWNBUDNS-MYODQAERSA-N | |
| SMILES: | COc1c(OC)cc2c(c1O)c1c(cc(c(c1OC)OC)OC)C[C@]([C@H](C2)C)(C)O | |
Molecular propeties
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| AlogP: | 3.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 418.2 | |
| Topological polar surface area: | 86.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.478 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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