Cochlioquinone B

Base Information

• Chemical Name: Cochlioquinone B
• CAS No.: 32450-26-3
• Molecular Formula: C₂₈H₄₀O₆
• Molecular Weight: 472.622
• DSSTox Substance ID: DTXSID401099098
• Nikkaji Number: J41.402F
• Wikidata: Q105185571
• ChEMBL ID: CHEMBL2288169
• Mol file: 32450-26-3.mol

Synonyms:COCHLIOQUINONE B;32450-26-3;(3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione;CHEMBL2288169;DTXSID401099098;(3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione

Chemical Property of Cochlioquinone B

Chemical Property:

• Vapor Pressure: 7.78E-16mmHg at 25°C
• Boiling Point: 579.4°C at 760 mmHg
• PKA: 14.54±0.29(Predicted)
• Flash Point: 184.2°C
• PSA: 110.13000
• Density: 1.17g/cm³
• LogP: 3.45460
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 472.28248899
• Heavy Atom Count: 34
• Complexity: 973

Purity/Quality:

98.5% ^*data from raw suppliers

Cochlioquinone B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2)(CCC(O4)C(C)(C)O)C)C
• Isomeric SMILES: CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CC[C@@H](O4)C(C)(C)O)C)C
• Uses: Cochlioquinone B, the minor component of a bioactive pigment isolated from Bipolaris leersia, is an NADH-ubiquinone reductase inhibitor and phytotoxic agent inhibiting root growth. It is closely related to Cochlioquinone A which inhibits diacylglycerol acyltransferase and exhibits anti-angiogenic and nematocidal activity. Cochlioquinones have recently been shown to be antagonists of the human chemokine receptor, CCR5, in HIV-1. Cochlioquinone B is an NADH ubiquinonereductase inhibitor and a phytotoxic agent. A metabolite of Cochliobolus miyabeanus.

Technology Process of Cochlioquinone B

There total 1 articles about Cochlioquinone B 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:

→ cochlioquinone B (32450-26-3,157183-69-2)

Guidance literature:

Chinon 37, CrO3, HCl, Diaethylaether;