Phyto4Health

Apigetrin

Representations & DB's id
ChEBI: CHEBI:16778
ChEMBL: CHEMBL487017
PubChem: 5280704
IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
Standard InChI Key: KMOUJOKENFFTPU-QNDFHXLGSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP: 0.05
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 166
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantHypericum perforatum
PlantSanguisorba officinalis
PlantConvallaria majalis
PlantBergenia crassifolia
PlantPimpinella saxifraga
PlantPetroselinum crispum
PlantRhodiola rosea
PlantSambucus nigra
PlantThymus vulgaris
PlantMarrubium vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Kd200 nMTNF-alphaP01375