Kaempferitrin
Representations & DB's id
| ||
| ChEBI: | CHEBI:68883 | |
|---|---|---|
| ChEMBL: | CHEMBL251766 | |
| PubChem: | 5486199 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one | |
| Standard InChI: | InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1 | |
| Standard InChI Key: | PUPKKEQDLNREIM-QNSQPKOQSA-N | |
| SMILES: | Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O | |
Molecular propeties
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| AlogP: | -0.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 14 | |
| Hydrogen bonds donors: | 8 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 5 | |
| Molecular Weight: | 578.16 | |
| Topological polar surface area: | 225 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 27 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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