Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002497

Phytochemical name: Anacardol

Synonymous chemical names:
anacardol, 3-ethoxy-n,n-diethyl-4-hydroxybenzamide

Chemical structure information

SMILES:
CCOc1cc(ccc1O)C(=O)N(CC)CC

InChI:
InChI=1S/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3

InChIKey:
CSGBRIWXMBIKEM-UHFFFAOYSA-N

DeepSMILES:
CCOcccccc6O))))C=O)NCC))CC

Functional groups:
cOC, cO, cC(=O)N(C)C

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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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.028

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Chemical structure download