Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016264

Phytochemical name: Benzofuran, 2-isopropenyl-3-methyl-

Synonymous chemical names:
benzofuran,3-methyl-2-(-1 methylethenyl)

External chemical identifiers:
CID:CID_599058

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Chemical structure information

SMILES:
CC(=C)c1oc2c(c1C)cccc2

InChI:
InChI=1S/C12H12O/c1-8(2)12-9(3)10-6-4-5-7-11(10)13-12/h4-7H,1H2,2-3H3

InChIKey:
RVQRIJYVLXVGHH-UHFFFAOYSA-N

DeepSMILES:
CC=C)coccc5C))cccc6

Functional groups:
cC(=C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2occc2c1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.031

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Chemical structure download