Summary

IMPPAT Phytochemical identifier: IMPHY005618

Phytochemical name: Germacrene B

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

External chemical identifiers:
CID:5281519, ChEMBL:CHEMBL448125, ChEBI:5337, SureChEMBL:SCHEMBL309633

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Chemical structure information

SMILES:
C/C/1=CCC/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=CCC/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