Gomisin A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1159658 | |
| PubChem: | 15608605 | |
| IUPAC: | (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol | |
| Standard InChI: | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1 | |
| Standard InChI Key: | ZWRRJEICIPUPHZ-DAOPMYJZSA-N | |
| SMILES: | COc1cc2C[C@@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 | |
Molecular propeties
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| AlogP: | 3.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 416.18 | |
| Topological polar surface area: | 75.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.478 | |
| Number of carbons: | 23 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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