Related Searches: Kudzu Root P.E.

Kudzu Root P.E.(CAS No. 568-72-9)

Kudzu Root P.E. C19H18O3 (cas 568-72-9) Molecular Structure

568-72-9 Structure

Identification and Related Records

【Name】
Kudzu Root P.E.
【CAS Registry number】
568-72-9
【Synonyms】
TanshinoneIIA (7CI)
1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Dan Shenketone
NSC 686518
NSC 686519
Tanshinon II
Tanshinone B
Tanshinone II
Tashinone IIA
【Molecular Formula】
C19H18O3 (Products with the same molecular formula)
【Molecular Weight】
294.34442
【Inchi】
InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
【InChIKey】
HYXITZLLTYIPOF-UHFFFAOYSA-N
【Canonical SMILES】
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
【MOL File】
568-72-9.mol

Chemical and Physical Properties

【Appearance】
Cherry crystal.
【Density】
1.209 g/cm3
【Melting Point】
205-207 °C
【Boiling Point】
480.7 °C at 760 mmHg
【Refractive Index】
1.603
【Flash Point】
236.4 °C
【Water】
Soluble in Alcohol and DMSO
【Solubilities】
Soluble in Alcohol and DMSO
【Computed Properties】
Molecular Weight:294.34442 [g/mol]
Molecular Formula:C19H18O3
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:294.125594
MonoIsotopic Mass:294.125594
Topological Polar Surface Area:47.3
Heavy Atom Count:22
Formal Charge:0
Complexity:509
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:0.8
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Specification】

?Tanshinone IIA , its cas register number is 568-72-9. It also can be called Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl- and 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione .

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
- Anti-inflammatory agents that are not steroids. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They are used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. Certain NSAIDs also may inhibit lipoxygenase enzymes or TYPE C PHOSPHOLIPASES or may modulate T-cell function. (AMA Drug Evaluations Annual, 1994, p 1814-5)
- Agents that prevent clotting.
- Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
- Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

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