Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003889

Phytochemical name: Germacranolide

Synonymous chemical names:
Germacranolide, germacranolide, germacronolide

External chemical identifiers:
CID:CID_91694425

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Chemical structure information

SMILES:
C/C/1=C\CC/C(=C/CC2C(C1)OC(=O)C2C)/C

InChI:
InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,12-14H,4-5,8-9H2,1-3H3/b10-7+,11-6+

InChIKey:
QJRFOUJEGHRZIU-NXAIOARDSA-N

DeepSMILES:
C/C=C\CC/C=C/CCCC\%10)OC=O)C5C))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC=CCCC=CCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.853

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Chemical structure download