Cannabisin G
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL445810 | |
| PubChem: | 10438919 | |
| IUPAC: | (2E,3E)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide | |
| Standard InChI: | InChI=1S/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19+,30-20+ | |
| Standard InChI Key: | FGAVHWSCPSBSMG-CZYCKNNWSA-N | |
| SMILES: | COc1cc(ccc1O)/C=C(C(=C/c1ccc(c(c1)OC)O)C(=NCCc1ccc(cc1)O)O)/C(=NCCc1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 4.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 4 | |
| Molecular Weight: | 624.25 | |
| Topological polar surface area: | 158 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.194 | |
| Number of carbons: | 36 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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