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Dihydroisotanshinone I

CAT: 0931-TN1588Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1588Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20958-18-3
Target
Potassium Channel, Calcium Channel, ATPase
Related Pathways
Metabolism, Membrane transporter/Ion channel
Bioactivity
Dihydroisotanshinone I has protective action against menadione-induced hepatotoxicity, attributed to its antioxidant properties including the free radical scavenging activity and inhibition of lipid peroxidation.
Smiles
CC1COC2=C1C(=O)c1ccc3c(C)cccc3c1C2=O |c:4|
Molecular Formula
C18H14O3
Molecular Weight
278.307
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione

isolated from the root of Salvia miltiorrhiza Bunge; structure given in first source

CAS Number20958-18-3
PubChem CID89406
IUPAC Name4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
Molecular FormulaC18H14O3
Molecular Weight278.3
XLogP3.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity533
SMILES
CC1COC2=C1C(=O)C3=C(C2=O)C4=CC=CC(=C4C=C3)C
InChI
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3
InChIKey
KXNYCALHDXGJSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8,9-Dihydro-4,8-dimethylphenanthro(3,2-b)furan-7,11-dione
CAS: 20958-18-3
CID: 89406
Formula: C18H14O3
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass278.094294304
Monoisotopic Mass278.094294304
Topological Polar Surface Area43.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
380101Dihydroisotanshinone II
HY-B1919Dihydroisotanshinone I

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