Cochlioquinone B
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
| Category | Enzyme inhibitors |
| Catalog number | BBF-04197 |
| CAS | 32450-26-3 |
| Molecular Weight | 472.61 |
| Molecular Formula | C28H40O6 |
| Purity | >99% by HPLC |
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Description
It is the minor component of a bioactive pigment isolated from Bipolaris cynodontis and Cochliobolus miyabeanus. It is an NADH-ubiquinone reductase inhibitor. It is also a phytotoxic agent inhibiting root growth. It is closely related to cochlioquinone A which inhibits diacylglycerol acyltransferase and exhibits anti-angiogenic and nematocidal activity. It is an antagonist of the human chemokine receptor, CCR5, in HIV-1.
Specification
| Synonyms | 20-De(acetyloxy)-11-deoxy-20-oxo-cochlioquinone A; 9-(1,3-Dimethyl-2-oxopentyl)-1,2,3,4aα,5,6,6a,12,12aα,12b-decahydro-3β-(1-hydroxy-1-methylethyl)-6aβ,12bβ-dimethyl-pyrano[3,2-a]xanthene-8,11-dione Stereoisomer; (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 |
| Storage | Store at -20°C |
| IUPAC Name | (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 |
| 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 |
| InChI | InChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20+,21+,22+,27+,28+/m0/s1 |
| InChI Key | NTPNSKLZWVYKGK-WWURSIHSSA-N |
| Source | Bipolaris leersia |
Properties
| Appearance | Yellow Crystal |
| Boiling Point | 579.4±50.0°C (Predicted) |
| Melting Point | 168-169°C |
| Density | 1.17±0.1 g/cm3 (Predicted) |
| Solubility | Soluble in Ethanol, Methanol, Acetone |
Reference Reading
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
