Irigenol
5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one
Also Known As: IRIGENOL|Spectrum_000693|Spectrum2_000801|Spectrum3_000207|Spectrum4_001603|Spectrum5_000325|BSPBio_001793|KBioGR_001945|KBioSS_001173|SPECTRUM201182|KBio2_003741|SPBio_000661|ERK5-5C15|KBio2_001173|KBio2_006309|KBio3_001293|UI1956|compound 4 [PMID: 28621943]|compound 4 (PMID: 28621943)|SDCCGMLS-0066397.P001|NCGC00095500-01|NCGC00095500-02|NCGC00179002-01|3',4',5,5',6,7-Hexahydroxyisoflavone|J3.674.232A|5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one|5,6,7-Trihydroxy-3-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one|BRD-K57398215-001-02-2|BRD-K57398215-001-03-0|3-(3,4,5-Trihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one
| Molecular Formula | C15H10O8 |
|---|---|
| Molecular Weight | 318.03757 g/mol |
| LogP | 1.6936 |
| Topological Polar Surface Area | 151.59 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.03757 |
| Monoisotopic Mass | 318.03757 |
| Heavy Atoms | 23 |
| Complexity | 979.5051 |
Chemical Identifiers
| CAS Number | 4935-93-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)O)O |
Product Overview
Irigenol (CAS 4935-93-7), with molecular formula C15H10O8 and molecular weight 318.03757 g/mol. IUPAC: 5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one.
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