Summary
IMPPAT Phytochemical identifier: IMPHY007207
Phytochemical name: Tangeretin
Synonymous chemical names:flavone, 4',5,6,7,8-pentamethoxy, ponkanetin, tangeretin, tangeritin
External chemical identifiers:CID:68077, ChEMBL:CHEMBL73930, ChEBI:9400, ZINC:ZINC000001531699, FDASRS:I4TLA1DLX6, SureChEMBL:SCHEMBL19740, MolPort-001-741-167
Chemical structure information
SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OCInChI:
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3InChIKey:
ULSUXBXHSYSGDT-UHFFFAOYSA-NDeepSMILES:
COcccccc6))ccc=O)cco6)cOC))ccc6OC)))OC)))OCFunctional groups:
c=O, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: O-methylated flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
NP-Likeness score: 0.831
Chemical structure download
