Summary

IMPPAT Phytochemical identifier: IMPHY000298

Phytochemical name: Deoxypeganidine

Synonymous chemical names:
deoxypeganidine

External chemical identifiers:
CID:10955323

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Chemical structure information

SMILES:
CC(=O)CC1N2CCCC2=Nc2c1cccc2

InChI:
InChI=1S/C14H16N2O/c1-10(17)9-13-11-5-2-3-6-12(11)15-14-7-4-8-16(13)14/h2-3,5-6,13H,4,7-9H2,1H3

InChIKey:
YMTAZHNVFUVLKW-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCNCCCC5=Ncc9cccc6

Functional groups:
CC(C)=O, cN=C(C)N(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CN1CCCC1=N2

Scaffold Graph/Node level:
C1CCC2NC3CCCN3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: 0.572

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Chemical structure download