Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000850

Phytochemical name: (-)-Germacrene A

Synonymous chemical names:
germacrene A, germacrene a, germecrene-a, germacrene a*, Germacrene A, germacrene a, (+)-germacrene a, germacrene, germacrenea, germacrene a (cas), Germacrene a

External chemical identifiers:
CID:CID_9548706, CID:CID_5835162, CID:CID_9548705, ChEBI:CHEBI:36515, ZINC:ZINC000064624190

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Chemical structure information

SMILES:
C/C/1=C\CC/C(=C/C[C@H](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/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m0/s1

InChIKey:
XMRKUJJDDKYUHV-SDFJSLCBSA-N

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

Functional groups:
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: 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: 2.218

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Chemical structure download