Summary

IMPPAT Phytochemical identifier: IMPHY017966

Phytochemical name: Isocyclocitral

Synonymous chemical names:
isocyclocitral

Chemical structure information

SMILES:
O=CC1C(C)CC(=CC1C)C

InChI:
InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3

InChIKey:
YJSUCBQWLKRPDL-UHFFFAOYSA-N

DeepSMILES:
O=CCCC)CC=CC6C)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.862

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Chemical structure download