For research use only. Not for therapeutic Use.
Brassicin（Cat No.:I044822）is an indole-derived phytoalexin produced by cruciferous vegetables such as broccoli, cabbage, and Brussels sprouts in response to stress or pathogen attack. Structurally related to other indole compounds, brassicin plays a role in plant defense by exhibiting antimicrobial and antifungal activities. It is biosynthesized from tryptophan and is part of the plant’s secondary metabolite arsenal. In addition to its ecological function, brassicin has attracted interest for its potential anticancer and anti-inflammatory properties, making it a compound of interest in nutraceutical research and functional food development.
| CAS Number | 6743-96-0 |
| Synonyms | 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Molecular Formula | C22H22O12 |
| Purity | ≥95% |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| InChI | InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)24)21-19(29)17(27)15-11(25)5-9(6-13(15)33-21)32-22-20(30)18(28)16(26)14(7-23)34-22/h2-6,14,16,18,20,22-26,28-30H,7H2,1H3/t14-,16-,18+,20-,22-/m1/s1 |
| InChIKey | YCUNOXSUHVGZRI-XMHBHJPISA-N |
| SMILES | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
