3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate (CHEM074306)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 12:20:15 UTC | ||||||||
| Update Date | 2026-04-04 12:20:15 UTC | ||||||||
| Accession Number | CHEM074306 | ||||||||
| Identification | |||||||||
| Common Name | 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H20O8 | ||||||||
| Average Molecular Mass | 400.383 g/mol | ||||||||
| Monoisotopic Mass | 400.116 g/mol | ||||||||
| CAS Registry Number | 69306-85-0 | ||||||||
| IUPAC Name | [3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] butanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCC(=O)OC1=C(OC)C=C(O)C2=C1OC(=C(O)C2=O)C1=CC=C(OC)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C21H20O8/c1-4-5-15(23)28-20-14(27-3)10-13(22)16-17(24)18(25)19(29-21(16)20)11-6-8-12(26-2)9-7-11/h6-10,22,25H,4-5H2,1-3H3 | ||||||||
| InChI Key | ZRKHWLRSNPTLPH-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
