Summary

IMPPAT Phytochemical identifier: IMPHY017862

Phytochemical name: Dimyrcene I-a

Synonymous chemical names:
dimyrcene i-a

External chemical identifiers:
CID:91749730

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Chemical structure information

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

InChI:
InChI=1S/C20H34/c1-6-20(14-8-10-18(4)5)15-12-19(13-16-20)11-7-9-17(2)3/h6,9-10,19H,1,7-8,11-16H2,2-5H3

InChIKey:
ILNRJDGFLRCSOE-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CC)C)))))CCCCC6))CCC=CC)C

Functional groups:
C=CC, 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: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Lobane diterpenoids

NP-Likeness score: 1.808

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Chemical structure download