Summary

IMPPAT Phytochemical identifier: IMPHY002920

Phytochemical name: germacrene C

Synonymous chemical names:
germacrene c

External chemical identifiers:
CID:25244915, ChEBI:61478, ZINC:ZINC000100085028

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Chemical structure information

SMILES:
C/C/1=CCC/C(=C/C=C(CC1)/C(C)C)/C

InChI:
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+

InChIKey:
WYGLLWYGQRUNLF-XZCMGSLHSA-N

DeepSMILES:
C/C=CCC/C=C/C=CCC%10))/CC)C)))))/C

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

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.611

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Chemical structure download