Summary

IMPPAT Phytochemical identifier: IMPHY007334

Phytochemical name: Junionone

Synonymous chemical names:
junionone

External chemical identifiers:
CID:9942192

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Chemical structure information

SMILES:
CC(=O)/C=C/[C@@H]1CCC1(C)C

InChI:
InChI=1S/C10H16O/c1-8(11)4-5-9-6-7-10(9,2)3/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m1/s1

InChIKey:
HTLAJCAGSLWZJN-XNPJLODASA-N

DeepSMILES:
CC=O)/C=C/[C@@H]CCC4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC1

Scaffold Graph/Node level:
C1CCC1

Scaffold Graph level:
C1CCC1

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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: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-)

NP-Likeness score: 2.294

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Chemical structure download