(E)-1-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-3-(8-Hydroxy-2,2-Dimethylchromen-6-Yl)Prop-2-En-1-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2204386 | |
| PubChem: | 5316801 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+ | |
| Standard InChI Key: | DYPJOHFWCNIBKZ-RMKNXTFCSA-N | |
| SMILES: | CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1cc(O)c2c(c1)C=CC(O2)(C)C)C | |
Molecular propeties
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| AlogP: | 5.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 406.18 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.24 | |
| Number of carbons: | 25 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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