Summary

IMPPAT Phytochemical identifier: IMPHY002365

Phytochemical name: 3-Deoxy-d-arabino-hexono-1,4-lactone

Synonymous chemical names:
3-deoxy-d-arabino-hexono-1,4-lactone

Chemical structure information

SMILES:
OC(=O)C(c1ccccc1)N=Cc1ccccc1

InChI:
InChI=1S/C15H13NO2/c17-15(18)14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-11,14H,(H,17,18)

InChIKey:
YDMVCHHYLLLLAF-UHFFFAOYSA-N

DeepSMILES:
OC=O)Ccccccc6))))))N=Ccccccc6

Functional groups:
CC(=O)O, cC=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=NCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CNCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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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: Shikimates and Phenylpropanoids

NP-Likeness score: -0.185

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Chemical structure download