Phyto4Health

Isomyricitrin

Representations & DB's id

ChEBI: CHEBI:75813
ChEMBL: CHEMBL1221722
PubChem: 5318606
IUPAC: 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1
Standard InChI Key: FOHXFLPXBUAOJM-LIBJPBHASA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.83
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 9
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 480.09
Topological polar surface area: 227
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantRibes nigrum
PlantHumulus lupulus
PlantCamellia sinensis
PlantEucalyptus maideni

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others40 %Epoxide hydrataseP34913
IC5017230 nMEpoxide hydrataseP34913