Summary

IMPPAT Phytochemical identifier: IMPHY004798

Phytochemical name: Cucurbitine

Synonymous chemical names:
cucurbitin, cucurbitine

External chemical identifiers:
CID:442634, ChEBI:3954, ZINC:ZINC000019851354

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Chemical structure information

SMILES:
OC(=O)[C@]1(N)CNCC1

InChI:
InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1

InChIKey:
DWAKXSZUASEUHH-RXMQYKEDSA-N

DeepSMILES:
OC=O)[C@]N)CNCC5

Functional groups:
CC(=O)O, CN, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCNC1

Scaffold Graph/Node level:
C1CCNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.503

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Chemical structure download