Summary

IMPPAT Phytochemical identifier: IMPHY012594

Phytochemical name: Kahweofuran

Synonymous chemical names:
kahweofuran

External chemical identifiers:
CID:526931, ChEBI:173587, SureChEMBL:SCHEMBL2081489

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Chemical structure information

SMILES:
Cc1occ2c1SCC2

InChI:
InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3

InChIKey:
WQOKVCDOEDFSAJ-UHFFFAOYSA-N

DeepSMILES:
Ccoccc5SCC5

Functional groups:
cSC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1occ2c1CCS2

Scaffold Graph/Node level:
C1CC2COCC2S1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thioethers

ClassyFire Subclass: Aryl thioethers

NP-Likeness score: -0.064

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Chemical structure download