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Danshenxinkun B

CAT: 0804-HY-N6922-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N6922-01Size:1 mg
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Description
Danshenxinkun B is an antioxidative component of tanshen (Salvia miltiorhiza Bung) [1].
CAS Number
65907-76-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/danshenxinkun-b.html
Purity
99.89
Solubility
10 mM in DMSO
Smiles
O=C1C(C(C)C)=C(O)C(C2=C1C=CC3=C2C=CC=C3C)=O
Molecular Formula
C18H16O3
Molecular Weight
280.32
References & Citations
[1]Zhang, K, et al. Antioxidative components of tanshen (Salvia miltiorhiza Bung) . Journal of Agricultural and Food Chemistry, 38 (5), 1194–1197.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Danshenxinkun B

Danshenxinkun B has been reported in Salvia miltiorrhiza, Salvia glutinosa, and other organisms with data available.

CAS Number65907-76-8
PubChem CID5320113
IUPAC Name1-hydroxy-8-methyl-2-propan-2-ylphenanthrene-3,4-dione
Molecular FormulaC18H16O3
Molecular Weight280.3
XLogP3.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity503
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C
InChI
InChI=1S/C18H16O3/c1-9(2)14-16(19)13-8-7-11-10(3)5-4-6-12(11)15(13)18(21)17(14)20/h4-9,19H,1-3H3
InChIKey
PVIJIAVGFMTLEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Danshenxinkun B
CAS: 65907-76-8
CID: 5320113
Formula: C18H16O3
MW: 280.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass280.109944368
Monoisotopic Mass280.109944368
Topological Polar Surface Area54.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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