Summary

IMPPAT Phytochemical identifier: IMPHY013910

Phytochemical name: gamma-Pyrufuran

Synonymous chemical names:
gamma-pyrufuran

External chemical identifiers:
CID:185310, ChEBI:174758, ZINC:ZINC000005998713

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Chemical structure information

SMILES:
COc1c(O)c(OC)c2c(c1OC)oc1c2ccc(c1)O

InChI:
InChI=1S/C15H14O6/c1-18-12-10-8-5-4-7(16)6-9(8)21-13(10)15(20-3)14(19-2)11(12)17/h4-6,16-17H,1-3H3

InChIKey:
KHGAPBYQBHBCBX-UHFFFAOYSA-N

DeepSMILES:
COccO)cOC))ccc6OC)))occ5cccc6)O

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 Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.497

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Chemical structure download