Summary

IMPPAT Phytochemical identifier: IMPHY013024

Phytochemical name: Giganticine

Synonymous chemical names:
giganticine

External chemical identifiers:
CID:10850332, ChEMBL:CHEMBL477129, ZINC:ZINC000015256735

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Chemical structure information

SMILES:
CCOC(=O)Nc1ccc(cc1)[C@@H](C(=O)O)NC(=O)C

InChI:
InChI=1S/C13H16N2O5/c1-3-20-13(19)15-10-6-4-9(5-7-10)11(12(17)18)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t11-/m0/s1

InChIKey:
LXZCEJOKBHKJLM-NSHDSACASA-N

DeepSMILES:
CCOC=O)Ncccccc6))[C@@H]C=O)O))NC=O)C

Functional groups:
CC(=O)NC, CC(=O)O, cNC(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: -0.816

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Chemical structure download