Summary

IMPPAT Phytochemical identifier: IMPHY003488

Phytochemical name: Egomaketone

Synonymous chemical names:
egomaketone

External chemical identifiers:
CID:42978, FDASRS:O37E2Q1R62

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Chemical structure information

SMILES:
CC(=CCC(=O)c1cocc1)C

InChI:
InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3,5-7H,4H2,1-2H3

InChIKey:
MGIXHQSSTZKVOO-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=O)ccocc5))))))))C

Functional groups:
CC=C(C)C, cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.663

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Chemical structure download