Summary

IMPPAT Phytochemical identifier: IMPHY017939

Phytochemical name: Methyl-2-(3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7a-hexahydrobenzofuran-5-yl)acrylate

Synonymous chemical names:
methyl-2-(3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7a-hexahydrobenzofuran-5-yl)acrylate

Chemical structure information

SMILES:
COC(=O)C(=C)C1CC2=C(C)C(=O)OC2CC1(C)C=C

InChI:
InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3

InChIKey:
ODNZGWQSPYLHGS-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=C)CCC=CC)C=O)OC5CC9C)C=C

Functional groups:
C=C(C)C(=O)OC, C=CC, CC1=C(C)C(=O)OC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

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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: Elemane sesquiterpenoids

NP-Likeness score: 2.534

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Chemical structure download