Summary

IMPPAT Phytochemical identifier: IMPHY015798

Phytochemical name: Linalyl anthranilate

Synonymous chemical names:
linalyl anthranilate

External chemical identifiers:
CID:23535, ChEMBL:CHEMBL3185660, ChEBI:88541, FDASRS:FPW8XDE040, SureChEMBL:SCHEMBL447073

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Chemical structure information

SMILES:
C=CC(OC(=O)c1ccccc1N)(CCC=C(C)C)C

InChI:
InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

InChIKey:
WHIJSULEEDNKPD-UHFFFAOYSA-N

DeepSMILES:
C=CCOC=O)cccccc6N)))))))))CCC=CC)C)))))C

Functional groups:
C=CC, CC=C(C)C, cC(=O)OC, cN

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.435

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Chemical structure download