Summary

IMPPAT Phytochemical identifier: IMPHY008733

Phytochemical name: 5-Phenyl-2-oxazolidinethione

Synonymous chemical names:
barbarin, resedinine

External chemical identifiers:
CID:10397377

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Chemical structure information

SMILES:
S=C1NCC(O1)c1ccccc1

InChI:
InChI=1S/C9H9NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)

InChIKey:
ULDSUTWYOBXEBV-UHFFFAOYSA-N

DeepSMILES:
S=CNCCO5)cccccc6

Functional groups:
S=C1NCCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=C1NCC(c2ccccc2)O1

Scaffold Graph/Node level:
SC1NCC(C2CCCCC2)O1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Alkaloids, Shikimates and Phenylpropanoids

NP-Likeness score: 0.659

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Chemical structure download