Summary

IMPPAT Phytochemical identifier: IMPHY009323

Phytochemical name: n9-Formylharman

Synonymous chemical names:
harman, n9-formyl, n9-formylharman

External chemical identifiers:
CID:129650345

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Chemical structure information

SMILES:
O=Cn1c2ccccc2c2c1C(=NCC2)C

InChI:
InChI=1S/C13H12N2O/c1-9-13-11(6-7-14-9)10-4-2-3-5-12(10)15(13)8-16/h2-5,8H,6-7H2,1H3

InChIKey:
UVDMQKFZJPSOJT-UHFFFAOYSA-N

DeepSMILES:
O=Cncccccc6cc9C=NCC6)))C

Functional groups:
cC(C)=NC, cn(c)C=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=NCCc2c1[nH]c1ccccc21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.263

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Chemical structure download