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Decursin

CAT: 0013-GTR19158748-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158748-07Size:500 mg
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Description
Decursin is a phytochemical originally isolated from A. gigas with diverse biological activities. It reduces the growth of B16/F10 murine melanoma cells, via induction of apoptosis and increased caspase-3 activity.
CAS Number
5928-25-6
Product Name Alternative
Decursin
Purity
>98% (HPLC)
Solubility
DMSO : 125 mg/mL 380.68 mM
Smiles
CC (=CC (=O) OC1CC2=C (C=C3C (=C2) C=CC (=O) O3) OC1 (C) C) C
Molecular Formula
C19H20O5
Molecular Weight
328.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3-methyl-2-butenoic acid, (7S) -7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-pyrano[3,2-g]-1-benzopyran-7-yl ester

Chemical Information

(+)-Decursin

Decursin is a member of coumarins.

CAS Number5928-25-6
PubChem CID442126
IUPAC Name[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Molecular FormulaC19H20O5
Molecular Weight328.4
XLogP3.9
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity585
SMILES
CC(=CC(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C
InChI
InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
InChIKey
CUKSFECWKQBVED-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (+)-Decursin
CAS: 5928-25-6
CID: 442126
Formula: C19H20O5
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass328.13107373
Monoisotopic Mass328.13107373
Topological Polar Surface Area61.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity585
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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CatalogName
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