Summary
IMPPAT Phytochemical identifier: IMPHY009426
Phytochemical name: Wightin
Synonymous chemical names:wightin, wightin (5,3'-di-oh-7,8,2'-tri-meo flavone)
External chemical identifiers:CID:12444943, SureChEMBL:SCHEMBL23728055
Chemical structure information
SMILES:
COc1c(O)cccc1c1cc(=O)c2c(o1)c(OC)c(cc2O)OCInChI:
InChI=1S/C18H16O7/c1-22-14-8-12(21)15-11(20)7-13(25-18(15)17(14)24-3)9-5-4-6-10(19)16(9)23-2/h4-8,19,21H,1-3H3InChIKey:
ZYWSNHKXAZICNY-UHFFFAOYSA-NDeepSMILES:
COccO)cccc6ccc=O)cco6)cOC))ccc6O)))OCFunctional groups:
c=O, cO, 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: 1.366
Chemical structure download
