Summary
IMPPAT Phytochemical identifier: IMPHY007973
Phytochemical name: Homoegonol
Synonymous chemical names:homoegonol
External chemical identifiers:CID:176929, ChEMBL:CHEMBL3634694, ZINC:ZINC000006018694, SureChEMBL:SCHEMBL15258226
Chemical structure information
SMILES:
OCCCc1cc2cc(oc2c(c1)OC)c1ccc(c(c1)OC)OCInChI:
InChI=1S/C20H22O5/c1-22-16-7-6-14(11-18(16)23-2)17-12-15-9-13(5-4-8-21)10-19(24-3)20(15)25-17/h6-7,9-12,21H,4-5,8H2,1-3H3InChIKey:
PFOARMALXZGCHY-UHFFFAOYSA-NDeepSMILES:
OCCCcccccoc5cc9)OC)))))cccccc6)OC)))OCFunctional groups:
CO, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(-c2cc3ccccc3o2)cc1Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: 2-arylbenzofuran flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Neolignans
NP-Likeness score: 0.577
Chemical structure download
