Products for Research Use Only
RegisterLogin

Scopolin

CAT: 0013-GTR19170690-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19170690-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Scopolin is a coumarin glycoside whose biosynthesis is upregulated by phenylalanine ammonia-lyase (PAL) activity. It exhibits anti-inflammatory and anti-angiogenic properties, as demonstrated in a rat adjuvant-induced arthritis (AIA) model, highlighting its potential as a lead compound for researching angiogenesis-related pathologies.
CAS Number
531-44-2
Product Name Alternative
Coumarin, Arabidopsis, hepatic, Inhibitor, inhibit, Murrayin, Scopolin, Scopoloside, steatosis, Sirtuin, thaliana
Field of Research
Epigenetics & Chromatin, Molecular Biology
Purity
≥95% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (63.5 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.64 mM)
Smiles
COc1cc2ccc (=O) oc2cc1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C16H18O9
Molecular Weight
354.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Scopolin

Scopolin is a member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of coumarins and a monosaccharide derivative. It is functionally related to a scopoletin.

CAS Number531-44-2
PubChem CID439514
IUPAC Name6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC16H18O9
Molecular Weight354.31
XLogP-1.1
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity510
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChIKey
SGTCGCCQZOUMJJ-YMILTQATSA-N
Chemical Structure
2D Structure
2D structure of Scopolin
CAS: 531-44-2
CID: 439514
Formula: C16H18O9
MW: 354.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.31
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass354.09508215
Monoisotopic Mass354.09508215
Topological Polar Surface Area135 Ų
Heavy Atom Count25
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19255236-01Scopoline
GTR19171278-01Scopoletin
GTR19233189Scoparin
GTR19160773-01Scopoletin
GTR19183133-01Scopoletin acetate

Alternative Products

CatalogName
FS65518-01Scopolin
HY-N0341RScopolin (Standard)

Popular Products