Summary

IMPPAT Phytochemical identifier: IMPHY000127

Phytochemical name: Leridol

Synonymous chemical names:
leridol

External chemical identifiers:
CID:10495449

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Chemical structure information

SMILES:
COc1c(C)c2OC(CC(=O)c2c(c1CO)O)c1ccccc1

InChI:
InChI=1S/C18H18O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,14,19,21H,8-9H2,1-2H3

InChIKey:
NYMCJKZZZIZEPS-UHFFFAOYSA-N

DeepSMILES:
COccC)cOCCC=O)c6cc%10CO)))O)))))cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.582

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Chemical structure download