Phyto4Health

Trifolin

Representations & DB's id

ChEBI: CHEBI:31742
ChEMBL: CHEMBL453290
PubChem: 5282149
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1
Standard InChI Key: JPUKWEQWGBDDQB-DTGCRPNFSA-N
SMILES: 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

Molecular propeties

AlogP: -0.24
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 448.1
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
ShootPanax ginseng
LeafPanax ginseng
PlantIris florentina
PlantArtemisia cina
PlantCamellia sinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.