Phyto4Health

Kaempferol-3-Beta-D-(6-O-Cis-P-Coumaroyl)Glucopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL499705
PubChem: 10175330
IUPAC: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3-/t21-,24-,26+,27-,30+/m1/s1
Standard InChI Key: DVGGLGXQSFURLP-PYFXTMFGSA-N
SMILES: O=C(OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=Cc1ccc(cc1)O

Molecular propeties

AlogP: 1.73
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 7
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 594.14
Topological polar surface area: 213
Number of aromatic rings: 4
Fsp3: 0.2
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantRubus idaeus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50700 nMCytochrome P450 3A4P08684