Summary

IMPPAT Phytochemical identifier: IMPHY005570

Phytochemical name: Gorlic acid

Synonymous chemical names:
gorlic acid, gorlic-acid

External chemical identifiers:
CID:5282855, SureChEMBL:SCHEMBL3318018

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Chemical structure information

SMILES:
OC(=O)CCCC/C=C/CCCCCCC1CCC=C1

InChI:
InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2+

InChIKey:
XADKGDBMULSEAC-DUXPYHPUSA-N

DeepSMILES:
OC=O)CCCC/C=C/CCCCCCCCCC=C5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Carbocyclic fatty acids

NP-Likeness score: 1.651

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Chemical structure download