Summary

IMPPAT Phytochemical identifier: IMPHY008756

Phytochemical name: Prosopidione

Synonymous chemical names:
prosopidione

External chemical identifiers:
CID:14194118

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Chemical structure information

SMILES:
CC(=O)/C=C/C1CC(C)(C)CC(C1=O)C

InChI:
InChI=1S/C13H20O2/c1-9-7-13(3,4)8-11(12(9)15)6-5-10(2)14/h5-6,9,11H,7-8H2,1-4H3/b6-5+

InChIKey:
JWDKMWGLQKDKBL-AATRIKPKSA-N

DeepSMILES:
CC=O)/C=C/CCCC)C)CCC6=O))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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(ε-)

NP-Likeness score: 1.627

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Chemical structure download