Summary

IMPPAT Phytochemical identifier: IMPHY015809

Phytochemical name: Matricaria lactone

Synonymous chemical names:
matricaria lactone

External chemical identifiers:
CID:6277481, ChEMBL:CHEMBL2229363, ZINC:ZINC000005574953

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Chemical structure information

SMILES:
C/C=CC#C/C=C/1OC(=O)C=C1

InChI:
InChI=1S/C10H8O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h2-3,6-8H,1H3/b3-2-,9-6-

InChIKey:
ZNOFNADHELRFDF-CITLEARMSA-N

DeepSMILES:
C/C=CC#C/C=COC=O)C=C5

Functional groups:
C/C=CC#C/C=C1/C=CC(=O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC(=O)O1

Scaffold Graph/Node level:
CC1CCC(O)O1

Scaffold Graph level:
CC1CCC(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 3.045

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Chemical structure download