Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000229

Phytochemical name: Germacrene B

Synonymous chemical names:
germacrene b*, germacrene B, Germacrene B, Germacrenc B, germacren-b, germacreno b, gemracrene b, germecrene d, germacrene - b, germacrene-b, germacrenc-b, germacreneb

External chemical identifiers:
CID:CID_5281519, ChEMBL:CHEMBL448125, ChEBI:CHEBI:5337, SureChEMBL:SCHEMBL309633

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Chemical structure information

SMILES:
C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C

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

InChIKey:
GXEGJTGWYVZSNR-SJRHNVSNSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCCC=CCC1

Scaffold Graph/Node level:
CC1CCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCC1

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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: 2.366

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Chemical structure download