MENADIOL SODIUM DIPHOSPHATE
General Information
| Mainterm | MENADIOL SODIUM DIPHOSPHATE |
| Doc Type | NUL |
| CAS Reg.No.(or other ID) | 131-13-5 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 8555 |
| IUPAC Name | tetrasodium;(2-methyl-4-phosphonatooxynaphthalen-1-yl) phosphate |
| InChI | InChI=1S/C11H12O8P2.4Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;;;/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4 |
| InChI Key | GZBACHSOZNEZOG-UHFFFAOYSA-J |
| Canonical SMILES | CC1=C(C2=CC=CC=C2C(=C1)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] |
| Molecular Formula | C11H8Na4O8P2 |
| Wikipedia | menadiol sodium diphosphate anhydrous |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 422.084 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Complexity | 434.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w P D M A A A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A D B U A A A G g A A A C A A D A S A m A A y B s A A A R C A Q i B C A I A C A A A g I A A I i A A G C I g I J i K A E R K A M A A k w B E I i A f A w P A O w Q A D A A A Y A A C C A A Y A A D A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 145.0 |
| Monoisotopic Mass | 421.929 |
| Exact Mass | 421.929 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Aryl phosphate - Aryl phosphomonoester - Naphthalene - Phosphoric acid ester - Organic phosphoric acid derivative - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
From ClassyFire
Targets
- General Function:
- Thrombospondin receptor activity
- Specific Function:
- Thrombin, which cleaves bonds after Arg and Lys, converts fibrinogen to fibrin and activates factors V, VII, VIII, XIII, and, in complex with thrombomodulin, protein C. Functions in blood homeostasis, inflammation and wound healing.
- Gene Name:
- F2
- Uniprot ID:
- P00734
- Molecular Weight:
- 70036.295 Da
- General Function:
- Serine-type peptidase activity
- Specific Function:
- Initiates the extrinsic pathway of blood coagulation. Serine protease that circulates in the blood in a zymogen form. Factor VII is converted to factor VIIa by factor Xa, factor XIIa, factor IXa, or thrombin by minor proteolysis. In the presence of tissue factor and calcium ions, factor VIIa then converts factor X to factor Xa by limited proteolysis. Factor VIIa will also convert factor IX to factor IXa in the presence of tissue factor and calcium.
- Gene Name:
- F7
- Uniprot ID:
- P08709
- Molecular Weight:
- 51593.465 Da
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.
- Gene Name:
- F9
- Uniprot ID:
- P00740
- Molecular Weight:
- 51778.11 Da
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting.
- Gene Name:
- F10
- Uniprot ID:
- P00742
- Molecular Weight:
- 54731.255 Da
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Protein C is a vitamin K-dependent serine protease that regulates blood coagulation by inactivating factors Va and VIIIa in the presence of calcium ions and phospholipids (PubMed:25618265). Exerts a protective effect on the endothelial cell barrier function (PubMed:25651845).
- Gene Name:
- PROC
- Uniprot ID:
- P04070
- Molecular Weight:
- 52070.82 Da
- General Function:
- Gamma-glutamyl carboxylase activity
- Specific Function:
- Mediates the vitamin K-dependent carboxylation of glutamate residues to calcium-binding gamma-carboxyglutamate (Gla) residues with the concomitant conversion of the reduced hydroquinone form of vitamin K to vitamin K epoxide.
- Gene Name:
- GGCX
- Uniprot ID:
- P38435
- Molecular Weight:
- 87560.065 Da
- General Function:
- Endopeptidase inhibitor activity
- Specific Function:
- Anticoagulant plasma protein; it is a cofactor to activated protein C in the degradation of coagulation factors Va and VIIIa. It helps to prevent coagulation and stimulating fibrinolysis.
- Gene Name:
- PROS1
- Uniprot ID:
- P07225
- Molecular Weight:
- 75121.905 Da
From T3DB