(E)-3-(3,4-Dihydroxy-2-Methoxyphenyl)-1-(3,4-Dihydroxyphenyl)Prop-2-En-1-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3099519 | |
| PubChem: | 6478421 | |
| IUPAC: | (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+ | |
| Standard InChI Key: | BICPGUILWBQAEY-GORDUTHDSA-N | |
| SMILES: | COc1c(/C=C/C(=O)c2ccc(c(c2)O)O)ccc(c1O)O | |
Molecular propeties
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| AlogP: | 2.41 | |
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| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 302.08 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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