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Angelicain

CAT: 0013-GTR19165383-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165383-02Size:5 mg
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Description
Angelicain (Norcimifugin) is a bioactive small molecule isolated from Cimicifuga foetida, recognized for its anti-inflammatory properties. It serves as a valuable research tool for investigating inflammatory pathways and mechanisms in both in vitro and in vivo experimental models.
CAS Number
49624-66-0
Product Name Alternative
Angelicain, Inhibitor, inhibit, Norcimifugin
Purity
99.81% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.42 mM) ; DMSO:2.93 mg/mL (10.02 mM)
Smiles
CC (C) (O) [C@@H]1Cc2c (O1) cc1oc (CO) cc (=O) c1c2O
Molecular Formula
C15H16O6
Molecular Weight
292.28
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Norcimifugin

(2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-5-one has been reported in Angelica japonica, Actaea elata, and Angelica archangelica with data available.

CAS Number49624-66-0
PubChem CID46240156
IUPAC Name(2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Molecular FormulaC15H16O6
Molecular Weight292.28
XLogP0.9
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity471
SMILES
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)CO)O
InChI
InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3/t12-/m0/s1
InChIKey
FHCHSXPHLRBEBR-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Norcimifugin
CAS: 49624-66-0
CID: 46240156
Formula: C15H16O6
MW: 292.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.28
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass292.09468823
Monoisotopic Mass292.09468823
Topological Polar Surface Area96.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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