Sennidine A

Base Information

• Chemical Name: Sennidine A
• CAS No.: 641-12-3
• Molecular Formula: C₃₀H₁₈O₁₀
• Molecular Weight: 538.467
• European Community (EC) Number: 211-371-5
• DSSTox Substance ID: DTXSID50862099
• Nikkaji Number: J2.170.002I
• Wikidata: Q105132945
• Metabolomics Workbench ID: 127788
• ChEMBL ID: CHEMBL227796
• Mol file: 641-12-3.mol

Synonyms:dihydroxydianthrone;dihydroxydianthrone, (R*,S*)-isomer;sennidin A;sennidin B;sennidine A

Chemical Property of Sennidine A

Chemical Property:

• Boiling Point: 801.8oC at 760 mmHg
• PKA: 3.26±0.40(Predicted)
• Flash Point: 452.6oC
• PSA: 189.66000
• Density: 1.695g/cm3
• LogP: 3.95820
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 538.08999677
• Heavy Atom Count: 40
• Complexity: 977

Purity/Quality:

≥98% ^*data from raw suppliers

SennidinA >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 22-45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
• Uses: Sennidin A can be used to inhibit SARS-CoV-2 using docking and FPL stimulations and to treat various microbial infections.

Technology Process of Sennidine A

There total 7 articles about Sennidine A which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

sennidin A-8-monoglucoside (82334-26-7,82373-27-1,111144-51-5) → β-D-glucose (492-61-5) + sennidin A (517-44-2,641-12-3,57762-62-6,67479-20-3,98461-42-8)

Guidance literature:

With sulfuric acid; In water; at 95 ℃; for 2h; Product distribution;

DOI:10.1248/cpb.30.1338

Reference yield:

sennoside A (81-27-6,128-57-4,517-43-1,66575-30-2) → sennidin B (517-44-2) + sennidin A-8-monoglucoside (82334-26-7,82373-27-1,111144-51-5) + sennidin A (517-44-2,641-12-3,57762-62-6,67479-20-3,98461-42-8)

Guidance literature:

In water; at 37 ℃; for 1h; Yield given; anaerobic incubation with rat feces, pH 7.3 phosphate buffer;

DOI:10.1248/cpb.30.1338

Reference yield:

Sennoside A (128-57-4) → sennidin B (517-44-2) + sennidin-B-8-monoglucoside (82334-26-7,82373-27-1,111144-51-5) + sennidin-B-8'-monoglucoside (82334-26-7,82373-27-1,111144-51-5) + sennidin A (517-44-2,641-12-3,57762-62-6,67479-20-3,98461-42-8)

Guidance literature:

With suspension of rat feces; In water; at 37 ℃; for 1h; Product distribution; anaerobic incubation in pH 7.3 phosphate buffer;

DOI:10.1248/cpb.30.1338

upstream raw materials:

sulfuric acid

sennoside G + A

sennidin B

sennidin A-8-monoglucoside

Downstream raw materials:

diacetylrhein

rhein anthrone

1,8-dihydroxy-3-carboxy-anthraquinone

Refernces