Cannabisin D
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL445592 | |
| PubChem: | 44584134 | |
| IUPAC: | (1R,2S)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide | |
| Standard InChI: | InChI=1S/C36H36N2O8/c1-45-31-18-23(7-12-29(31)41)33-27-20-30(42)32(46-2)19-24(27)17-28(35(43)37-15-13-21-3-8-25(39)9-4-21)34(33)36(44)38-16-14-22-5-10-26(40)11-6-22/h3-12,17-20,33-34,39-42H,13-16H2,1-2H3,(H,37,43)(H,38,44)/t33-,34-/m1/s1 | |
| Standard InChI Key: | XYTYRVFKBJENPE-KKLWWLSJSA-N | |
| SMILES: | COc1cc2C=C(C(=O)NCCc3ccc(cc3)O)[C@H]([C@@H](c2cc1O)c1ccc(c(c1)OC)O)C(=NCCc1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 4.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 11 | |
| Number of rings: | 5 | |
| 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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