Introduction：Basic information about CAS 39089-30-0|Karacoline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Karacoline |
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| CAS Number | 39089-30-0 | Molecular Weight | 377.518 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 540.2±50.0 °C at 760 mmHg |
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| Molecular Formula | C22H35NO4 | Melting Point | / |
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| MSDS | / | Flash Point | 280.5±30.1 °C |
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Names
| Name | karakoline |
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| Synonym | More Synonyms |
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Karacoline BiologicalActivity
| Description | Karacoline, a diterpene alkaloid found in the plant Aconitum kusnezoffii, reduces degradation of the extracellular matrix (ECM) in intervertebral disc degeneration (IDD) via the NF-κB signaling pathway[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. XiaoliZhou, et al. Karacoline, identified by network pharmacology, reduces degradation of the extracellular matrix in intervertebral disc degeneration via the NF-κB signaling pathway. Journal of Pharmaceutical Analysis, 2019. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 540.2±50.0 °C at 760 mmHg |
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| Molecular Formula | C22H35NO4 |
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| Molecular Weight | 377.518 |
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| Flash Point | 280.5±30.1 °C |
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| Exact Mass | 377.256622 |
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| PSA | 73.16000 |
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| LogP | -0.26 |
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| Vapour Pressure | 0.0±3.3 mmHg at 25°C |
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| Index of Refraction | 1.623 |
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| InChIKey | HKQZUYOVMYOFIT-DAKPKMGASA-N |
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| SMILES | CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AR5569480
- CHEMICAL NAME :
- Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-
- CAS REGISTRY NUMBER :
- 39089-30-0
- LAST UPDATED :
- 199412
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C22-H35-N-O4
- MOLECULAR WEIGHT :
- 377.58
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 298 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 51500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981
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Safety Information
Synonyms
| (1α,14α,16β)-20-Ethyl-16-methoxy-4-methylaconitane-1,8,14-triol |
| Karacoline |
| Karakoline |
| 20-Ethyl-16-β-methoxy-4-methylaconitane-1-α,8,14-α-triol |
| Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1α,14α,16β)- |
