Gomisin N
Representations & DB's id
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| ChEBI: | CHEBI:4410 | |
|---|---|---|
| ChEMBL: | CHEMBL402435 | |
| PubChem: | 158103 | |
| 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)-hexaene | |
| Standard InChI: | InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1 | |
| Standard InChI Key: | RTZKSTLPRTWFEV-OLZOCXBDSA-N | |
| SMILES: | COc1cc2C[C@@H](C)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1 | |
Molecular propeties
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| AlogP: | 4.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 400.19 | |
| Topological polar surface area: | 55.4 | |
| 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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