Summary

IMPPAT Phytochemical identifier: IMPHY006931

Phytochemical name: Dimyrcene isomer # 2

Synonymous chemical names:
dimyrcene (comphorene)

External chemical identifiers:
CID:85919252

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Chemical structure information

SMILES:
C=CC1(CCC=C(C)C)CCC=C(C1)CCC=C(C)C

InChI:
InChI=1S/C20H32/c1-6-20(14-8-11-18(4)5)15-9-13-19(16-20)12-7-10-17(2)3/h6,10-11,13H,1,7-9,12,14-16H2,2-5H3

InChIKey:
DWVQYLNPEHLULX-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CC)C)))))CCC=CC6)CCC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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-Likeness score: 1.864

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Chemical structure download