(+)-Gomisin M2
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL518108 | |
| PubChem: | 16728078 | |
| IUPAC: | (9R,10S)-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-19-ol | |
| Standard InChI: | InChI=1S/C22H26O6/c1-11-6-13-9-16-20(28-10-27-16)19(23)17(13)18-14(7-12(11)2)8-15(24-3)21(25-4)22(18)26-5/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m0/s1 | |
| Standard InChI Key: | PDDXWOMYBJCSQB-NWDGAFQWSA-N | |
| SMILES: | COc1c(OC)c(OC)cc2c1c1c(C[C@@H]([C@@H](C2)C)C)cc2c(c1O)OCO2 | |
Molecular propeties
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| AlogP: | 4.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 386.17 | |
| Topological polar surface area: | 66.4 | |
| 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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