Summary

IMPPAT Phytochemical identifier: IMPHY003026

Phytochemical name: Dehydrocoronamic acid

Synonymous chemical names:
15,16-dihydrocoronaric-acid

External chemical identifiers:
CID:25792362, ZINC:ZINC000013525911, SureChEMBL:SCHEMBL15402932

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Chemical structure information

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

InChI:
InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6+/m1/s1

InChIKey:
GALLMPFNVWUCGD-XINAWCOVSA-N

DeepSMILES:
N[C@]C[C@H]3C=C))))C=O)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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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: 1.928

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Chemical structure download