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Chemical structure of Oleacein

GC72064

Oleacein

Also known as 2-(3,4-dihydroxyphenyl)ethyl (Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate

Oleacein (Compound 9) is an ACE inhibitor that can be isolated from J· grandiflorum

ChemicalCAS149183-75-5MW320.34FormulaC17H20O6
CAS number
149183-75-5
Molecular weight
320.34
Formula
C17H20O6
InChIKey
XLPXUPOZUYGVPD-XNJYKOPJSA-N
Catalogue number
GC72064
Brand
GLPBIO
Computed properties PubChem CID 18684078 · XLogP 1.1 · TPSA 101 Ų · H-bond donors 2
XLogP
1.1
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
23

SMILES C/C=C(\C=O)/C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O

Computed descriptors from PubChem (CID 18684078), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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