Licopyranocoumarin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL597425 | |
| PubChem: | 122851 | |
| IUPAC: | 7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one | |
| Standard InChI: | InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3 | |
| Standard InChI Key: | MOBCUWLJOZHPQL-UHFFFAOYSA-N | |
| SMILES: | OCC1(C)CCc2c(O1)cc1c(c2OC)cc(c(=O)o1)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 2.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 384.12 | |
| Topological polar surface area: | 105 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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