1,7-Bis(4-Hydroxy-3-Methoxyphenyl)Hepta-4,6-Dien-3-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1088446 | |
| PubChem: | 46881044 | |
| IUPAC: | (4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one | |
| Standard InChI: | InChI=1S/C21H22O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h3-6,8-9,11-14,23-24H,7,10H2,1-2H3/b5-3+,6-4+ | |
| Standard InChI Key: | QWMYYGNLMQEGNV-GGWOSOGESA-N | |
| SMILES: | COc1cc(CCC(=O)/C=C/C=C/c2ccc(c(c2)OC)O)ccc1O | |
Molecular propeties
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| AlogP: | 3.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 354.15 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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