Products 26166-39-2
CAS 26166-39-2 is the registry number for Ascochlorin. Offered by: TRC, TargetMol, GLPBio, MedChemExpress. Available pack sizes: 25mg, 500ug, 2500ug, 2,5mg, 500μg, 500 μg.
Ascochlorin is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (1E,3E)-3-methyl-1-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-1,3-dien-5-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by several fungi including Ascochyta viciae. It exhibits anticancer, antifungal and antiprotozoal activities. It has a role as an antineoplastic agent, an antifungal agent, an antiprotozoal drug, an angiogenesis inhibitor and a fungal metabolite. It is a member of cyclohexanones, a sesquiterpenoid, a member of resorcinols, a dihydroxybenzaldehyde, a meroterpenoid, an olefinic compound and a member of monochlorobenzenes. It is a conjugate acid of an ascochlorin(1-).
Source: ChEBI
| Molecular formula | C23H29ClO4 |
|---|---|
| Molecular weight | 404.9 g/mol |
| IUPAC name | 5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde |
| InChIKey | SETVRSKZJJWOPA-FLDGXQSCSA-N |
| SMILES | C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C |
Computed by PubChem (NCBI)