Licorisoflavan A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL598721 | |
| PubChem: | 46232311 | |
| IUPAC: | (3R)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C27H32O6/c1-15(2)7-9-18-21(28)12-11-17(25(18)29)20-14-33-23-13-22(31-5)19(10-8-16(3)4)27(32-6)24(23)26(20)30/h7-8,11-13,20,28-29H,9-10,14H2,1-6H3/t20-/m0/s1 | |
| Standard InChI Key: | AXLJPECJCPNXRX-FQEVSTJZSA-N | |
| SMILES: | COc1cc2OC[C@H](C(=O)c2c(c1CC=C(C)C)OC)c1ccc(c(c1O)CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 5.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 3 | |
| Molecular Weight: | 452.22 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.37 | |
| Number of carbons: | 27 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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