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Danshenol A

CAT: 0013-GTR19181743-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181743-02Size:5 mg
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Description
Danshenol A is a potent small molecule exhibiting dual bioactivities. It functions as a strong aldose reductase inhibitor with an IC50 of 0.10 μM and demonstrates antitumor activity against several cancer cell lines, including K562 and T-24. This profile supports its research application in studying diabetic complications and oncology, both in vitro.
CAS Number
189308-08-5
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
C[C@H]1COC2=C1C (=O) [C@] (O) (CC (C) =O) c1c2ccc2c (C) cccc12
Molecular Formula
C21H20O4
Molecular Weight
336.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Danshenol A

Danshenol A has been reported in Salvia miltiorrhiza and Salvia glutinosa with data available.

CAS Number189308-08-5
PubChem CID3083514
IUPAC Name(1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
Molecular FormulaC21H20O4
Molecular Weight336.4
XLogP3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity636
SMILES
C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
InChI
InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1
InChIKey
WQYKPUPMMFGHQW-QKVFXAPYSA-N
Chemical Structure
2D Structure
2D structure of Danshenol A
CAS: 189308-08-5
CID: 3083514
Formula: C21H20O4
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass336.13615911
Monoisotopic Mass336.13615911
Topological Polar Surface Area63.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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