Summary

IMPPAT Phytochemical identifier: IMPHY016669

Phytochemical name: Germacrene D, 1,10-epoxide

Synonymous chemical names:
germacrene d-1,10-epoxide, germacrene-d-1,10,epoxide

External chemical identifiers:
CID:91747492

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Chemical structure information

SMILES:
COC1CCC(=C)/C=C/[C@@H](CCC1C)C(C)C

InChI:
InChI=1S/C16H28O/c1-12(2)15-9-6-13(3)7-11-16(17-5)14(4)8-10-15/h6,9,12,14-16H,3,7-8,10-11H2,1-2,4-5H3/b9-6+/t14?,15-,16?/m0/s1

InChIKey:
KCOVYKLMLVCCRK-DAPDZSFNSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCCCCCC1

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: 2.744

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Chemical structure download