Summary

IMPPAT Phytochemical identifier: IMPHY000192

Phytochemical name: Acalyphamide

Synonymous chemical names:
acalyphamide

External chemical identifiers:
CID:102146496, ZINC:ZINC000085559190

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(cc1)O

InChI:
InChI=1S/C40H73NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-40(43)41-37-36-38-32-34-39(42)35-33-38/h32-35,42H,2-31,36-37H2,1H3,(H,41,43)

InChIKey:
JXEPDSRWVYTNJT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)NCCcccccc6))O

Functional groups:
CNC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP-Likeness score: -0.02

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Chemical structure download