2(S)-5'-(1''',1'''-Dimethylallyl)-8-(3'',3''-Dimethylallyl)-2',4',5,7-Tetrahydroxyflavanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3085398 | |
| PubChem: | 10251761 | |
| IUPAC: | (2S)-2-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(18(27)10-19(16)28)22-12-21(30)23-20(29)11-17(26)14(24(23)31-22)8-7-13(2)3/h6-7,9-11,22,26-29H,1,8,12H2,2-5H3/t22-/m0/s1 | |
| Standard InChI Key: | PCNCQAWYRGWMFH-QFIPXVFZSA-N | |
| SMILES: | C=CC(c1cc([C@@H]2CC(=O)c3c(O2)c(CC=C(C)C)c(cc3O)O)c(cc1O)O)(C)C | |
Molecular propeties
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| AlogP: | 5.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 424.19 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.32 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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