Summary

IMPPAT Phytochemical identifier: IMPHY009533

Phytochemical name: methyl (Z)-3-[5-[3-(3-ethyloxiran-2-yl)prop-2-ynoyl]furan-2-yl]prop-2-enoate

Synonymous chemical names:
wyerone epoxide

External chemical identifiers:
CID:131751106

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Chemical structure information

SMILES:
CCC1OC1C#CC(=O)c1ccc(o1)/C=CC(=O)OC

InChI:
InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5-

InChIKey:
FRIBCHAVILXSND-UITAMQMPSA-N

DeepSMILES:
CCCOC3C#CC=O)cccco5)/C=CC=O)OC

Functional groups:
c/C=CC(=O)OC, cC(=O)C#CC1OC1C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C#CC1CO1)c1ccco1

Scaffold Graph/Node level:
OC(CCC1CO1)C1CCCO1

Scaffold Graph level:
CC(CCC1CC1)C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP-Likeness score: 1.039

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Chemical structure download