Summary
IMPPAT Phytochemical identifier: IMPHY007958
Phytochemical name: Licoriphenone
Synonymous chemical names:licoriphenone
External chemical identifiers:CID:21591149, ChEBI:175788, ZINC:ZINC000085996833
Chemical structure information
SMILES:
COc1c(CC(=O)c2ccc(cc2O)O)c(O)cc(c1CC=C(C)C)OCInChI:
InChI=1S/C21H24O6/c1-12(2)5-7-15-20(26-3)11-19(25)16(21(15)27-4)10-18(24)14-8-6-13(22)9-17(14)23/h5-6,8-9,11,22-23,25H,7,10H2,1-4H3InChIKey:
LXLBPEZCZLGOGJ-UHFFFAOYSA-NDeepSMILES:
COccCC=O)cccccc6O)))O)))))))cO)ccc6CC=CC)C)))))OCFunctional groups:
CC=C(C)C, cC(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(Cc1ccccc1)c1ccccc1Scaffold Graph/Node level:
OC(CC1CCCCC1)C1CCCCC1Scaffold Graph level:
CC(CC1CCCCC1)C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Stilbenes
NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids
NP Classifier Superclass: Phloroglucinols
NP-Likeness score: 1.47
Chemical structure download
