Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002145

Phytochemical name: 2-((3,3-Dimethyloxiran-2-yl)methyl)-3-methylfuran

Synonymous chemical names:
rosefuran epoxide, Rosefuran epoxide, 2-((3,3-Dimethyloxiran-2-yl)methyl)-3-methylfuran, rose furan epoxide, rosenfuran epoxide, rosefurane epoxide

External chemical identifiers:
CID:CID_6428926

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Chemical structure information

SMILES:
Cc1ccoc1CC1OC1(C)C

InChI:
InChI=1S/C10H14O2/c1-7-4-5-11-8(7)6-9-10(2,3)12-9/h4-5,9H,6H2,1-3H3

InChIKey:
BVTAIXWVSMPSFL-UHFFFAOYSA-N

DeepSMILES:
Ccccoc5CCOC3C)C

Functional groups:
CC1OC1(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(CC2CO2)c1

Scaffold Graph/Node level:
C1COC(CC2CO2)C1

Scaffold Graph level:
C1CCC(CC2CC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.1

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Chemical structure download