Gomisin R
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465720 | |
| PubChem: | 11516888 | |
| IUPAC: | (11S,12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol | |
| Standard InChI: | InChI=1S/C22H24O7/c1-10-5-12-6-14-19(28-8-26-14)21(24-3)16(12)17-13(18(23)11(10)2)7-15-20(22(17)25-4)29-9-27-15/h6-7,10-11,18,23H,5,8-9H2,1-4H3/t10-,11-,18-/m0/s1 | |
| Standard InChI Key: | HOPDFAWBFXSPSA-FHGNATFXSA-N | |
| SMILES: | COc1c2OCOc2cc2c1c1c(C[C@@H]([C@@H]([C@@H]2O)C)C)cc2c(c1OC)OCO2 | |
Molecular propeties
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| AlogP: | 3.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 400.15 | |
| Topological polar surface area: | 75.6 | |
| 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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