Psi-Baptigenin
Psi-Baptigenin structure
|
Common Name | Psi-Baptigenin | ||
|---|---|---|---|---|
| CAS Number | 90-29-9 | Molecular Weight | 282.25 | |
| Density | 1.494g/cm3 | Boiling Point | 510.6ºC at 760 mmHg | |
| Molecular Formula | C16H10O5 | Melting Point | 296-297 °C | |
| MSDS | N/A | Flash Point | 197.8ºC | |
Use of Psi-BaptigeninPseudobaptigenin is a flavonoid. Pseudobaptigenin shows very good anticataract activity. Pseudobaptigenin has good binding affinity for the inhibition of glycation against γ-crystallin protein. Pseudobaptigenin also has good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | pseudobaptigenin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Pseudobaptigenin is a flavonoid. Pseudobaptigenin shows very good anticataract activity. Pseudobaptigenin has good binding affinity for the inhibition of glycation against γ-crystallin protein. Pseudobaptigenin also has good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.494g/cm3 |
|---|---|
| Boiling Point | 510.6ºC at 760 mmHg |
| Melting Point | 296-297 °C |
| Molecular Formula | C16H10O5 |
| Molecular Weight | 282.25 |
| Flash Point | 197.8ºC |
| Exact Mass | 282.05300 |
| PSA | 68.90000 |
| LogP | 2.89430 |
| Index of Refraction | 1.69 |
| InChIKey | KNJNBKINYHZUGC-UHFFFAOYSA-N |
| SMILES | O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|
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 9 | |
|---|---|
| DownStream 0 | |
CAS#:5653-25-8
CAS#:68-12-2
CAS#:77069-04-6
CAS#:4253-03-6
CAS#:150-19-6
CAS#:77069-06-8
CAS#:3769-41-3
CAS#:77069-05-7
CAS#:77069-07-9This 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
|
|
Name: Cytotoxicity against HEK293 cells assessed as viable cells at 100 uM after 48 hrs by ...
Source: ChEMBL
Target: HEK293
External Id: CHEMBL1062050
|
|
Name: Agonist activity at human PPARalpha expressed in HEK293 cells co-transfected with PPR...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor alpha
External Id: CHEMBL1059365
|
|
Name: Cytotoxicity against HEK293 cells assessed as viable cells at 10 uM after 48 hrs by a...
Source: ChEMBL
Target: HEK293
External Id: CHEMBL1059366
|
|
Name: Agonist activity at human PPARalpha assessed as luciferase activity by transactivatio...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor alpha
External Id: CHEMBL1059363
|
|
Name: Agonist activity at human PPARalpha expressed in HEK293 cells co-transfected with PPR...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor alpha
External Id: CHEMBL1059364
|
|
Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
|
|
Name: Agonist activity at human PPARgamma expressed in HEK293 cells co-transfected with PPR...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor gamma
External Id: CHEMBL1059361
|
|
Name: Agonist activity at human PPARgamma assessed as luciferase activity by transactivatio...
Source: ChEMBL
Target: Peroxisome proliferator-activated receptor gamma
External Id: CHEMBL1059362
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-hydroxy-3',4'-methylenedioxyisoflavone |
| 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one |
| 3',4'-methylenedioxy-7-hydroxyisoflavone |
| pseudobaptisin aglycone |
| |x-Baptigenin |
| Pseudobaptigenin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of pseudobaptigenin? |
| A: Boiling point of pseudobaptigenin is 510.6ºC at 760 mmHg. |
| Q: What is the melting point of pseudobaptigenin? |
| A: Melting point of pseudobaptigenin is 296-297 °C. |
| Q: What is the CAS number of pseudobaptigenin? |
| A: CAS number of pseudobaptigenin is 90-29-9. |
| Q: What is the SMILES notation of pseudobaptigenin? |
| A: SMILES notation of pseudobaptigenin is O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12. |
| Q: What is the polar surface area (PSA) of pseudobaptigenin? |
| A: Polar surface area (PSA) of pseudobaptigenin is 68.90000. |
| Q: What is the English name of pseudobaptigenin? |
| A: The English name of pseudobaptigenin is pseudobaptigenin. |
| Q: What are the uses of pseudobaptigenin? |
| A: Main uses of pseudobaptigenin: Pseudobaptigenin is a flavonoid. Pseudobaptigenin shows very good anticataract activity. Pseudobaptigenin has good binding affinity for the inhibition of glycation against γ-crystallin protein. Pseudobaptigenin also has good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property[1]. |
| Q: What is the InChIKey of pseudobaptigenin? |
| A: InChIKey of pseudobaptigenin is KNJNBKINYHZUGC-UHFFFAOYSA-N. |
| Q: What English synonyms does pseudobaptigenin have? |
| A: English synonyms of pseudobaptigenin: 7-hydroxy-3',4'-methylenedioxyisoflavone, 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one, 3',4'-methylenedioxy-7-hydroxyisoflavone, pseudobaptisin aglycone, |x-Baptigenin, Pseudobaptigenin. |
| Q: What are the upstream materials of pseudobaptigenin? |
| A: Related upstream materials(CAS) of pseudobaptigenin: 5653-25-8;68-12-2;77069-04-6;4253-03-6;150-19-6;77069-06-8;3769-41-3;77069-05-7;77069-07-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |