Phyto4Health

Orientin

Representations & DB's id

ChEBI: CHEBI:7781
ChEMBL: CHEMBL520866
PubChem: 5281675
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Standard InChI: InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
Standard InChI Key: PLAPMLGJVGLZOV-VPRICQMDSA-N
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O

Molecular propeties

AlogP: -0.2
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 8
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 448.1
Topological polar surface area: 197
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantCannabis sativa
SeedTrigonella foenum-graecum
FructusCapsicum annuum
PlantBeta vulgaris

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.