Summary

IMPPAT Phytochemical identifier: IMPHY000130

Phytochemical name: Iberin

Synonymous chemical names:
iberin

External chemical identifiers:
CID:10455, ChEMBL:CHEMBL4067519, ChEBI:89494, FDASRS:RZ680L4LP3, SureChEMBL:SCHEMBL691776, MolPort-033-481-681

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Chemical structure information

SMILES:
S=C=NCCCS(=O)C

InChI:
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3

InChIKey:
LELAOEBVZLPXAZ-UHFFFAOYSA-N

DeepSMILES:
S=C=NCCCS=O)C

Functional groups:
CN=C=S, CS(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Sulfoxides

NP-Likeness score: 1.141

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Chemical structure download