(3R)-7,4'-Dihydroxy-5-Methoxy-6-Prenyl-6''',6'''-Dimethylpyrano[2''',3''':2',3']-Isoflavan
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3125428 | |
| PubChem: | 76332672 | |
| IUPAC: | 8-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol | |
| Standard InChI: | InChI=1S/C26H30O5/c1-15(2)6-7-18-22(28)13-23-20(24(18)29-5)12-16(14-30-23)17-8-9-21(27)19-10-11-26(3,4)31-25(17)19/h6,8-11,13,16,27-28H,7,12,14H2,1-5H3/t16-/m0/s1 | |
| Standard InChI Key: | NPCBOHBGCANYKG-INIZCTEOSA-N | |
| SMILES: | COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(c2c1OC(C)(C)C=C2)O | |
Molecular propeties
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| AlogP: | 5.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 422.21 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.385 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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