Summary

IMPPAT Phytochemical identifier: IMPHY013730

Phytochemical name: Rizolipase

Synonymous chemical names:
lipase

External chemical identifiers:
CID:135534490

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)/N=N/c1ccccn1.[Na+]

InChI:
InChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1/b14-13+;

InChIKey:
KZRPHCQLJZXMJV-IERUDJENSA-N

DeepSMILES:
Occcccc6)O))/N=N/cccccn6.[Na+]

Functional groups:
[Na+], c/N=N/c, cO, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(N=Nc2ccccn2)cc1

Scaffold Graph/Node level:
C1CCC(NNC2CCCCN2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Benzenediols

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.391

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Chemical structure download