Summary

IMPPAT Phytochemical identifier: IMPHY016696

Phytochemical name: Amiloxate

Synonymous chemical names:
isoamyl p-methoxycinnamate

External chemical identifiers:
CID:1549789, ChEMBL:CHEMBL1476782, ZINC:ZINC000001600509, FDASRS:376KTP06K8, SureChEMBL:SCHEMBL15764, MolPort-002-140-550

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/C(=O)OCCC(C)C

InChI:
InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+

InChIKey:
UBNYRXMKIIGMKK-RMKNXTFCSA-N

DeepSMILES:
COcccccc6))/C=C/C=O)OCCCC)C

Functional groups:
c/C=C/C(=O)OC, cOC

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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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Cinnamic acid esters

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.25

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Chemical structure download