Summary

IMPPAT Phytochemical identifier: IMPHY014074

Phytochemical name: 3-Methyl-2-(3-methylbut-3-enyl)furan

Synonymous chemical names:
naginatene, bela-

External chemical identifiers:
CID:5319998, SureChEMBL:SCHEMBL11485400

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Chemical structure information

SMILES:
CC(=C)CCc1occc1C

InChI:
InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h6-7H,1,4-5H2,2-3H3

InChIKey:
OGQMYOKLFYJRGZ-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCcoccc5C

Functional groups:
C=C(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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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: 1.168

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Chemical structure download