Summary

IMPPAT Phytochemical identifier: IMPHY015623

Phytochemical name: Dimyrcene II-a

Synonymous chemical names:
dimyrcene ii-a

External chemical identifiers:
CID:91749731

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Chemical structure information

SMILES:
CC(=CCCC1CCCC(C1)C(=C)CCC=C(C)C)C

InChI:
InChI=1S/C20H34/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,19-20H,5-8,11-15H2,1-4H3

InChIKey:
AIPIFXVDYDBWHE-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCCCC6)C=C)CCC=CC)C))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Prenylbisabolane diterpenoids

NP-Likeness score: 1.995

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Chemical structure download