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Chemical structure of Xanthoangelol

GC61382

Xanthoangelol

Also known as (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Xanthoangelol, extracted from Angelica keiskei, suppresses obesity-induced inflammatory responses

ChemicalCAS62949-76-2MW392.49FormulaC25H28O4
CAS number
62949-76-2
Molecular weight
392.49
Formula
C25H28O4
Solubility
DMSO ： 100 mg/mL (254·78 mM; Need ultrasonic)
InChIKey
LRSMBOSQWGHYCW-MDGZPELGSA-N
Catalogue number
GC61382
Brand
GLPBIO
Computed properties PubChem CID 643007 · XLogP 7 · TPSA 77.8 Ų · H-bond donors 3
XLogP
7
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
29

SMILES CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C

Computed descriptors from PubChem (CID 643007), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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