Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004242

Phytochemical name: Dehydroionene

Synonymous chemical names:
dehydroionene

External chemical identifiers:
CID:CID_6429341

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Chemical structure information

SMILES:
C=C/C=C/C1=C(C)C=CCC1(C)C

InChI:
InChI=1S/C13H18/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-9H,1,10H2,2-4H3/b9-6+

InChIKey:
ACFCPKXNISJZKZ-RMKNXTFCSA-N

DeepSMILES:
C=C/C=C/C=CC)C=CCC6C)C

Functional groups:
C=C/C=C/C1=C(C)C=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.832

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Chemical structure download