Gardenin B
Representations & DB's id
| ||
| ChEBI: | CHEBI:79628 | |
|---|---|---|
| ChEMBL: | CHEMBL226512 | |
| PubChem: | 96539 | |
| IUPAC: | 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3 | |
| Standard InChI Key: | LXEVSYZNYDZSOB-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC | |
Molecular propeties
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| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 358.11 | |
| Topological polar surface area: | 83.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |