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Chemical structure of N-trans-p-coumaroyloctopamine

GC36779

N-trans-p-coumaroyloctopamine

Also known as (E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide

N-trans-p-coumaroyloctopamine is a phenylpropanoid amide isolated from eggplant (Solanum melongena L

ChemicalCAS66648-45-1MW299.32FormulaC17H17NO4
CAS number
66648-45-1
Molecular weight
299.32
Formula
C17H17NO4
Solubility
DMSO ： 83·33 mg/mL (278·40 mM; Need ultrasonic)
InChIKey
VATOSFCFMOPAHX-XCVCLJGOSA-N
Catalogue number
GC36779
Brand
GLPBIO
Computed properties PubChem CID 23874492 · XLogP 1.8 · TPSA 89.8 Ų · H-bond donors 4
XLogP
1.8
TPSA
89.8 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

SMILES C1=CC(=CC=C1/C=C/C(=O)NCC(C2=CC=C(C=C2)O)O)O

Computed descriptors from PubChem (CID 23874492), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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