Summary

IMPPAT Phytochemical identifier: IMPHY008050

Phytochemical name: Ilexlactone

Synonymous chemical names:
ilexlactone

External chemical identifiers:
CID:101409158

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Chemical structure information

SMILES:
OC1C=C2C(C1)OC(=O)C=C2

InChI:
InChI=1S/C8H8O3/c9-6-3-5-1-2-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2

InChIKey:
OILJPEOTAOIWTL-UHFFFAOYSA-N

DeepSMILES:
OCC=CCC5)OC=O)C=C6

Functional groups:
CC=C1C=CC(=O)OC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CCCC2O1

Scaffold Graph/Node level:
OC1CCC2CCCC2O1

Scaffold Graph level:
CC1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 3.16

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Chemical structure download