3',4',7-trihydroxy isoflavone
3',4',7-trihydroxy isoflavone structure
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Common Name | 3',4',7-trihydroxy isoflavone | ||
|---|---|---|---|---|
| CAS Number | 485-63-2 | Molecular Weight | 270.24 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 572.8±50.0 °C at 760 mmHg | |
| Molecular Formula | C15H10O5 | Melting Point | 280-282°C | |
| MSDS | N/A | Flash Point | 224.0±23.6 °C | |
Use of 3',4',7-trihydroxy isoflavone7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3',4',7-trihydroxyisoflavone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2]. |
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| Related Catalog | |
| In Vitro | 7,3',4'-Trihydroxyisoflavone triggers cell cycle arrest at the G1 phase and displays an anti-proliferative effect against EGF receptor-positive skin cancer[1]. 7,3',4'-Trihydroxyisoflavone also significantly inhibits UVB-induced COX-2 expression by suppressing the NF-B transcription activity in mouse skin epidermal JB6 P+ cells[1]. |
| In Vivo | In a mouse skin tumorigenesis model, 7,3',4'-Trihydroxyisoflavone strongly suppresses the incidence, multiplicity, and volume of UVB-induced mouse skin tumors. Consistent with the tumor data, 7,3',4'-Trihydroxyisoflavone clearly attenuates UVB-induced COX-2 expression in hairless mouse skin[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 572.8±50.0 °C at 760 mmHg |
| Melting Point | 280-282°C |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 |
| Flash Point | 224.0±23.6 °C |
| Exact Mass | 270.052826 |
| PSA | 90.90000 |
| LogP | 2.58 |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.732 |
| InChIKey | DDKGKOOLFLYZDL-UHFFFAOYSA-N |
| SMILES | O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12 |
| Storage condition | -20°C Freezer |
| Stability | Store in Freezer |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | R36/37/38 |
|---|---|
| Safety Phrases | S22-S24/25 |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 1 | |
CAS#:24160-14-3
CAS#:887354-66-7
CAS#:68-12-2
CAS#:22877-01-6
CAS#:4253-04-7
CAS#:150-19-6
CAS#:77069-04-6
CAS#:77069-05-7
CAS#:1621-61-0This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human PPARgamma expressed in HEK293 cells co-transfected with PPR...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor gamma
External Id: CHEMBL1059360
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Name: Anti-obesity activity in male C57BL/6 mouse model of high-fat diet induced obesity as...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL5128740
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Name: Inhibition of human recombinant MIF tautomerase
Source: ChEMBL
Target: Macrophage migration inhibitory factor
External Id: CHEMBL1021636
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Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
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Name: Antineuroinflammatory activity in mouse N9 cells assessed as inhibition of LPS-induce...
Source: ChEMBL
Target: N9
External Id: CHEMBL4001903
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Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
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Name: Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-IC50 for protein-ligand complexes
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Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
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Name: ASTRAZENECA: Octan-1-ol/water (pH7.4) distribution coefficent measured by a shake fl...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3301363
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Name: Inhibition of xanthine oxidase assessed as decrease of superoxide generation
Source: ChEMBL
Target: Xanthine dehydrogenase/oxidase
External Id: CHEMBL991725
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7,3',4'-THIF |
| 3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one |
| 3',4',7-Trihydroxyisoflavone |
| 3`,4`,7-Trihydroxyisoflavone |
| 3l5r |
| MFCD00143002 |
| 3-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-on |
| 3',4',7-trihydroxy isoflavone |
| 3'-Hydroxydaidzein |
| 3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one |
| 3-(3,4-dihydroxy-phenyl)-7-hydroxy-chromen-4-one |
| 7,3',4'-Trihydroxyisoflavone |
| 7-Hydroxy-3-(3,4-dihydroxyphenyl)-4H-chromen-4-one |
| 4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)-7-hydroxy |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3',4',7-trihydroxyisoflavone? |
| A: InChIKey of 3',4',7-trihydroxyisoflavone is DDKGKOOLFLYZDL-UHFFFAOYSA-N. |
| Q: What is the melting point of 3',4',7-trihydroxyisoflavone? |
| A: Melting point of 3',4',7-trihydroxyisoflavone is 280-282°C. |
| Q: What is the SMILES notation of 3',4',7-trihydroxyisoflavone? |
| A: SMILES notation of 3',4',7-trihydroxyisoflavone is O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12. |
| Q: What are the storage conditions for 3',4',7-trihydroxyisoflavone? |
| A: Storage conditions for 3',4',7-trihydroxyisoflavone: -20°C Freezer. |
| Q: What is the polar surface area (PSA) of 3',4',7-trihydroxyisoflavone? |
| A: Polar surface area (PSA) of 3',4',7-trihydroxyisoflavone is 90.90000. |
| Q: What is the safety information for 3',4',7-trihydroxyisoflavone? |
| A: Safety information for 3',4',7-trihydroxyisoflavone: S22-S24/25. |
| Q: What is the molecular formula of 3',4',7-trihydroxyisoflavone? |
| A: Molecular formula of 3',4',7-trihydroxyisoflavone is C15H10O5. |
| Q: What are the uses of 3',4',7-trihydroxyisoflavone? |
| A: Main uses of 3',4',7-trihydroxyisoflavone: 7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2]. |
| Q: What is the English name of 3',4',7-trihydroxyisoflavone? |
| A: The English name of 3',4',7-trihydroxyisoflavone is 3',4',7-trihydroxyisoflavone. |
| Q: What is the molecular weight of 3',4',7-trihydroxyisoflavone? |
| A: Molecular weight of 3',4',7-trihydroxyisoflavone is 270.24. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |