(+/-)-1-[2,4-Dihydroxy-3-(3-Hydroxy-2-Methoxy-3-Methylbutyl)-6-Methoxyphenyl]-3-(4-Hydroxyphenyl)Propenone
Representations & DB's id
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| ChEBI: | CHEBI:66333 | |
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| ChEMBL: | CHEMBL481442 | |
| PubChem: | 11258152 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C22H26O7/c1-22(2,29-4)19(26)11-15-17(25)12-18(28-3)20(21(15)27)16(24)10-7-13-5-8-14(23)9-6-13/h5-10,12,19,23,25-27H,11H2,1-4H3/b10-7+ | |
| Standard InChI Key: | YXGBQKBRCDLZMP-JXMROGBWSA-N | |
| SMILES: | COC(C(Cc1c(O)cc(c(c1O)C(=O)/C=C/c1ccc(cc1)O)OC)O)(C)C | |
Molecular propeties
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| AlogP: | 3.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 402.17 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.318 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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