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Chemical structure of Angelicain

GC35345

Angelicain

Also known as 4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-g]isochromen-5-one

Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity

ChemicalCAS49624-66-0MW292.28FormulaC15H16O6
CAS number
49624-66-0
Molecular weight
292.28
Formula
C15H16O6
Solubility
DMSO ： 100 mg/mL (342·14 mM; Need ultrasonic)
InChIKey
UPJSJELJVQLOME-UHFFFAOYSA-N
Catalogue number
GC35345
Brand
GLPBIO
Computed properties PubChem CID 5358377 · XLogP 1.2 · TPSA 96.2 Ų · H-bond donors 3
XLogP
1.2
TPSA
96.2 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

SMILES CC(C)(C1CC2=C(O1)C=C3C=C(OC(=O)C3=C2O)CO)O

Computed descriptors from PubChem (CID 5358377), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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