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Methylenedihydrotanshinquinone

CAT: 0804-HY-126414-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126414-01Size:1 mg
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Description
Methylenedihydrotanshinquinone is a natural product that can be isolated from the dried root of S. miltiorrhiza. Methylenedihydrotanshinquinone has anti-inflammatory effect by inhibiting expression of TNF-α, IL-1β, and IL-8[1].
CAS Number
126979-81-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/methylenedihydrotanshinquinone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C2C=CC3=C1CCCC3=C)C(C4=C2OC[C@@H]4C)=O
Molecular Formula
C18H16O3
Molecular Weight
280.32
References & Citations
[1]Xiangui Mei, et al. Simultaneous qualitative and quantitative determination of 17 bioactive components in the fibrous roots of Salvia miltiorrhiza Bunge by a combinatorial Ultra performance liquid chromatography- Ultraviolet characteristic spectra analysis. Journal of Applied Research on Medicinal and Aromatic Plants. Volume 20, February 2021, 100291.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(1R)-1-Methyl-6-methylidene-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
CAS Number126979-81-5
PubChem CID102004770
IUPAC Name(1R)-1-methyl-6-methylidene-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Molecular FormulaC18H16O3
Molecular Weight280.3
XLogP2.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity571
SMILES
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=C
InChI
InChI=1S/C18H16O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h6-7,10H,1,3-5,8H2,2H3/t10-/m0/s1
InChIKey
UXXYCZFYFKWTPQ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (1R)-1-Methyl-6-methylidene-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
CAS: 126979-81-5
CID: 102004770
Formula: C18H16O3
MW: 280.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass280.109944368
Monoisotopic Mass280.109944368
Topological Polar Surface Area43.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity571
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

Alternative Products

CatalogName
BFA97981-01Methylenedihydrotanshinquinone

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