Obtusin
Obtusin structure
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Common Name | Obtusin | ||
|---|---|---|---|---|
| CAS Number | 70588-05-5 | Molecular Weight | 344.315 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 614.9±55.0 °C at 760 mmHg | |
| Molecular Formula | C18H16O7 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 227.0±25.0 °C | |
Use of ObtusinObtusin, isolated from Cassia obtusifolia Linn seed, is a highly selective and competitive human monoamine oxidase-A (hMAO-A) inhibitor with an IC50 of 11.12 μM and a Ki of 6.15. Obtusin plays a preventive role in neurodegenerative diseases, especially anxiety and depression[1]. |
Summary: Obtusin, with the chemical formula C18H16O7 and molecular weight of 344.315, has a CAS number of 70588-05-5. Its density is 1.4±0.1 g/cm3 and boiling point is 614.9±55.0 °C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Obtusin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Obtusin, isolated from Cassia obtusifolia Linn seed, is a highly selective and competitive human monoamine oxidase-A (hMAO-A) inhibitor with an IC50 of 11.12 μM and a Ki of 6.15. Obtusin plays a preventive role in neurodegenerative diseases, especially anxiety and depression[1]. |
|---|---|
| Related Catalog | |
| Target |
IC50: 11.12 μM (hMAO-A)[1] Ki: 6.15 (hMAO-A)[1] |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 614.9±55.0 °C at 760 mmHg |
| Molecular Formula | C18H16O7 |
| Molecular Weight | 344.315 |
| Flash Point | 227.0±25.0 °C |
| Exact Mass | 344.089600 |
| PSA | 102.29000 |
| LogP | 4.10 |
| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
| Index of Refraction | 1.634 |
| InChIKey | CFLNHFUPWNRWJA-UHFFFAOYSA-N |
| SMILES | COc1cc2c(c(O)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O |
| Storage condition | 2-8℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914690090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~71%
Obtusin CAS#:70588-05-5 |
| Literature: Cameron, Donald W.; Feutrill, Geoffrey I.; Gamble, Glenn B.; Stavrakis, John Tetrahedron Letters, 1986 , vol. 27, # 41 p. 4999 - 5002 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914690090 |
|---|---|
| Summary | 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation b...
Source: ChEMBL
Target: Bifunctional epoxide hydrolase 2
External Id: CHEMBL3635709
|
|
Name: Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation a...
Source: ChEMBL
Target: Bifunctional epoxide hydrolase 2
External Id: CHEMBL3635708
|
|
Name: Inhibition of baker's yeast alpha-glucosidase using PNPG as substrate preincubated fo...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4392779
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Name: Antioxidant activity assessed as DPPH radical scavenging activity incubated for 30 mi...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4392780
|
|
Name: Inhibition of 12-O-tetradecanoylphorbol-13-acetate induced EBV-early antigen activati...
Source: ChEMBL
Target: N/A
External Id: CHEMBL938674
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione |
| 1,7-Dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthraquinone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of Obtusin? |
| A: The English name of Obtusin is Obtusin. |
| Q: What is the molecular formula of Obtusin? |
| A: Molecular formula of Obtusin is C18H16O7. |
| Q: What is the LogP of Obtusin? |
| A: LogP of Obtusin is 4.10. |
| Q: What is the CAS number of Obtusin? |
| A: CAS number of Obtusin is 70588-05-5. |
| Q: What are the uses of Obtusin? |
| A: Main uses of Obtusin: Obtusin, isolated from Cassia obtusifolia Linn seed, is a highly selective and competitive human monoamine oxidase-A (hMAO-A) inhibitor with an IC50 of 11.12 μM and a Ki of 6.15. Obtusin plays a preventive role in neurodegenerative diseases, especially anxiety and depression[1]. |
| Q: What English synonyms does Obtusin have? |
| A: English synonyms of Obtusin: 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione, 1,7-Dihydroxy-2,3,8-trimethoxy-6-methyl-9,10-anthraquinone. |
| Q: What is the boiling point of Obtusin? |
| A: Boiling point of Obtusin is 614.9±55.0 °C at 760 mmHg. |
| Q: What is the InChIKey of Obtusin? |
| A: InChIKey of Obtusin is CFLNHFUPWNRWJA-UHFFFAOYSA-N. |
| Q: What are the storage conditions for Obtusin? |
| A: Storage conditions for Obtusin: 2-8℃. |
| Q: What are the upstream materials of Obtusin? |
| A: Related upstream materials(CAS) of Obtusin: 108637-73-6;108637-94-1. |
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 |