Gomisin J
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL251864 | |
| PubChem: | 3001686 | |
| IUPAC: | (9S,10R)-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol | |
| Standard InChI: | InChI=1S/C22H28O6/c1-11-7-13-9-15(23)19(25-3)21(27-5)17(13)18-14(8-12(11)2)10-16(24)20(26-4)22(18)28-6/h9-12,23-24H,7-8H2,1-6H3/t11-,12+ | |
| Standard InChI Key: | PICOUNAPKDEPCA-TXEJJXNPSA-N | |
| SMILES: | COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c(c(c3)O)OC)C)cc(c1OC)O | |
Molecular propeties
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| AlogP: | 4.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 388.19 | |
| Topological polar surface area: | 77.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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