Summary

IMPPAT Phytochemical identifier: IMPHY001610

Phytochemical name: alpha-Pyrufuran

Synonymous chemical names:
alpha-jpyrufuran, alpha-pyrufuran

External chemical identifiers:
CID:159239, ChEBI:10328

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Chemical structure information

SMILES:
COc1c(OC)c2oc3c(c2c(c1O)OC)cccc3

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

InChIKey:
LZNMTWGKSPOPIR-UHFFFAOYSA-N

DeepSMILES:
COccOC))coccc5cc9O))OC))))cccc6

Functional groups:
cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)oc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Dibenzofurans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.197

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Chemical structure download