Summary

IMPPAT Phytochemical identifier: IMPHY005548

Phytochemical name: Laricitrin

Synonymous chemical names:
laricitrin

External chemical identifiers:
CID:5282154, ChEMBL:CHEMBL2260151, ChEBI:31763, ZINC:ZINC000006483599, SureChEMBL:SCHEMBL19213534

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Chemical structure information

SMILES:
COc1cc(cc(c1O)O)c1oc2cc(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3

InChIKey:
CFYMYCCYMJIYAB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))O)))cocccO)ccc6c=O)c%10O))))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.745

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Chemical structure download