Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000525

Phytochemical name: Bicyclogermacrene

Synonymous chemical names:
bicyclogermacranes, biclyclogermacrene, Bicyclogermacrene, bicyclogermacrene*, bicylcogermacrene, bicyclogermacrène, bicyclogemacrene, biyclogermacrene, bycyclogermacrene, bicyclogermacrene, biciclogermacrene, biciclogernacrene, bicyclo-germacrene, bicyclogermcrene, bicyclogerrnacrene

External chemical identifiers:
CID:CID_13894537, ChEMBL:CHEMBL509566, ChEBI:CHEBI:63709

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Chemical structure information

SMILES:
C/C/1=C\CC/C(=C/[C@H]2[C@@H](CC1)C2(C)C)/C

InChI:
InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1

InChIKey:
VPDZRSSKICPUEY-JEPMYXAXSA-N

DeepSMILES:
C/C=C\CC/C=C/[C@H][C@@H]CC\%10))C3C)C)))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CC2C=CCC1

Scaffold Graph/Node level:
C1CCCCC2CC2CCC1

Scaffold Graph level:
C1CCCCC2CC2CCC1

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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: Bicyclogermacrane sesquiterpenoids, Cyclogermacrane sesquiterpenoids

NP-Likeness score: 3.202

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Chemical structure download