Detailed description page of Hmrbase2
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20621 details |
| Primary information | |
|---|---|
| ID | 20621 |
| Pubchem ID | NA |
| Name | Brassinolide |
| Description | Brassinolide belongs to the class of organic compounds known as brassinolides and derivatives. These are cholestane based steroid lactones containing benzo[c]indeno[5,4-e]oxepin-3-one. Thus, brassinolide is considered to be a sterol. |
| Synonym | 24-Epibrassinolide; 2,3,22,23-Tetrahydroxy-24-methyl-b-homo-7-oxacholestan-6-one; 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-b-homo-7-oxa-5alpha-cholestan-6-one; Brassinolide |
| Molecular Weight | 480.6771 |
| Formula | C28H48O6 |
| IUPAC | (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0²,⁷.0¹²,¹⁶]octadecan-8-one |
| SMILE | [H][C@@]12CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])COC(=O)[C@@]2([H])C[C@H](O)[C@H](O)C[C@]12C |
| PDB ID | NA |
| KEGG | C11049 |
| HMDB ID | HMDB0034081 |
| Melting Point (Degree C) | 274 |
| Water Solubility | 0.034 g/L |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB |