Summary

IMPPAT Phytochemical identifier: IMPHY015761

Phytochemical name: Isogermacrene

Synonymous chemical names:
isogermacrene

External chemical identifiers:
CID:91749707

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Chemical structure information

SMILES:
C/C/1=C[C@@H](CCC/C(=C/CC1)/C)C(=C)C

InChI:
InChI=1S/C15H24/c1-12(2)15-10-6-8-13(3)7-5-9-14(4)11-15/h7,11,15H,1,5-6,8-10H2,2-4H3/b13-7+,14-11+/t15-/m1/s1

InChIKey:
YSOYXLPARMWZFY-GFIAIGKSSA-N

DeepSMILES:
C/C=C[C@@H]CCC/C=C/CC%10)))/C)))))C=C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCC1

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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: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.73

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Chemical structure download