Summary

IMPPAT Phytochemical identifier: IMPHY000015

Phytochemical name: cis-(-)-gamma-Irone

Synonymous chemical names:
gamma-irone

External chemical identifiers:
CID:11367750, FDASRS:3E1993GY4L

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Chemical structure information

SMILES:
CC(=O)/C=C/[C@@H]1C(=C)CC[C@@H](C1(C)C)C

InChI:
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13+/m0/s1

InChIKey:
MVPDTCQYNRKWJA-MDQMCFMNSA-N

DeepSMILES:
CC=O)/C=C/[C@@H]C=C)CC[C@@H]C6C)C))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Megastigmanes

NP-Likeness score: 2.797

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Chemical structure download