Summary

IMPPAT Phytochemical identifier: IMPHY006083

Phytochemical name: Glucoliquiritin apioside

Synonymous chemical names:
glucoliquiritin apioside, liquiritin,gluco, apioside

External chemical identifiers:
CID:74819335

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Chemical structure information

SMILES:
OCC1OC(Oc2ccc(cc2)C2CC(=O)c3c(O2)cc(cc3)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OCC(C1O)(O)CO

InChI:
InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2

InChIKey:
JUYBMOHJXUXKDN-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccccc6))CCC=O)ccO6)cccc6))OCOCCO))CCC6O))O))O))))))))))))))))))CCC6O))O))OCOCCC5O))O)CO

Functional groups:
CO, COC(C)OC, cC(C)=O, cOC, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc(OC3OCCCC3OC3CCCO3)cc2)Oc2cc(OC3CCCCO3)ccc21

Scaffold Graph/Node level:
OC1CC(C2CCC(OC3OCCCC3OC3CCCO3)CC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCC(CC3CCCCC3CC3CCCC3)CC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.825

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Chemical structure download