Isoapetalic acid
Isoapetalic acid structure
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Common Name | Isoapetalic acid | ||
|---|---|---|---|---|
| CAS Number | 34366-34-2 | Molecular Weight | 388.45 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 586.6±50.0 °C at 760 mmHg | |
| Molecular Formula | C22H28O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 202.7±23.6 °C | |
Use of Isoapetalic acidIsoapetalic acid (compound 4) is a potent anti-HIV agent[1]. |
Summary: Isoapetalic acid (CAS number: 34366-34-2), with molecular formula C22H28O6 and molecular weight 388.45. It appears as a powder with a boiling point of 586.6±50.0 °C and a density of 1.2±0.1 g/cm3. 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 | Isoapetalic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Isoapetalic acid (compound 4) is a potent anti-HIV agent[1]. |
|---|---|
| Related Catalog | |
| In Vitro | Isoapetalic acid (compound 4) 具有抗 HIV 活性，对 HIV-1 RT 的抑制率为 20.6[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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 586.6±50.0 °C at 760 mmHg |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.45 |
| Flash Point | 202.7±23.6 °C |
| Exact Mass | 388.188599 |
| PSA | 93.06000 |
| LogP | 6.77 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.550 |
| InChIKey | JZWLSXINEVHWEP-RWMBFGLXSA-N |
| SMILES | CCCC(CC(=O)O)c1c2c(c(O)c3c1OC(C)C(C)C3=O)C=CC(C)(C)O2 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity against mouse RAW264.7 cells assessed as effect on cell viability measur...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL5139131
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|
Name: Antiinflammatory activity in mouse RAW264.7 assessed as inhibition of LPS-induced NO ...
Source: ChEMBL
Target: RAW264.7
External Id: CHEMBL5139132
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-[(7R,8R)-5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-10-yl]hexanoic acid |
| 3-[(7S,8S)-5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-10-yl]hexanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Isoapetalic acid? |
| A: SMILES notation of Isoapetalic acid is CCCC(CC(=O)O)c1c2c(c(O)c3c1OC(C)C(C)C3=O)C=CC(C)(C)O2. |
| Q: What is the polar surface area (PSA) of Isoapetalic acid? |
| A: Polar surface area (PSA) of Isoapetalic acid is 93.06000. |
| Q: What is the InChIKey of Isoapetalic acid? |
| A: InChIKey of Isoapetalic acid is JZWLSXINEVHWEP-RWMBFGLXSA-N. |
| Q: What is the molecular formula of Isoapetalic acid? |
| A: Molecular formula of Isoapetalic acid is C22H28O6. |
| Q: What is the English name of Isoapetalic acid? |
| A: The English name of Isoapetalic acid is Isoapetalic acid. |
| Q: What is the CAS number of Isoapetalic acid? |
| A: CAS number of Isoapetalic acid is 34366-34-2. |
| Q: What are the uses of Isoapetalic acid? |
| A: Main uses of Isoapetalic acid: Isoapetalic acid (compound 4) is a potent anti-HIV agent[1]. |
| Q: What is the LogP of Isoapetalic acid? |
| A: LogP of Isoapetalic acid is 6.77. |
| Q: What is the molecular weight of Isoapetalic acid? |
| A: Molecular weight of Isoapetalic acid is 388.45. |
| Q: What is the boiling point of Isoapetalic acid? |
| A: Boiling point of Isoapetalic acid is 586.6±50.0 °C at 760 mmHg. |
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 |