Summary

IMPPAT Phytochemical identifier: IMPHY012675

Phytochemical name: Entadamide B

Synonymous chemical names:
entadamide b

External chemical identifiers:
CID:3035981, SureChEMBL:SCHEMBL10626630

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Chemical structure information

SMILES:
OCCNC(=O)CC(SC)SC

InChI:
InChI=1S/C7H15NO2S2/c1-11-7(12-2)5-6(10)8-3-4-9/h7,9H,3-5H2,1-2H3,(H,8,10)

InChIKey:
YACJUWJRBSAQIG-UHFFFAOYSA-N

DeepSMILES:
OCCNC=O)CCSC))SC

Functional groups:
CNC(C)=O, CO, CSC(C)SC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP-Likeness score: -0.229

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Chemical structure download