| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1619-16-5 |
| Catalog No. | 2A-1169014 |
| Chinese Name | 1-羟基缬草烯酸 |
| Synonyms | Valerenolic acid |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33300 |
| Purity | 99 |
| Density | 1.14 g/cm3 |
| Boiling Point | 426ºC at 760 mmHg |
| Melting Point | 164.5-165.5ºC |
| Application | Hydroxyvalerenic acid is isolated from Verbena officinalis and has low toxicity, with IC50 values of 123 and 165 μM for GLC4 and COLO 320 cells, respectively. |
| HTC | 2918199090 |
| PubChem ID | 11644312 |
| SMILES | CC(=CC1CCC(C)C2C1=C(C)CC2O)C(=O)O |
| InChI | InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1 |
| InChI Key | XJNQXTISSHEQKD-UNXUOHHUSA-N |
| Bioactivity | Hydroxyvalerenic acid is isolated from Verbena officinalis, has a low toxicity with IC50 values of 123 and 165 μM against GLC4 and COLO 320 cells, respectively[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Bos R, et al. Cytotoxic potential of valerian constituents and valerian tinctures. Phytomedicine. 1998 May;5(3):219-25. Chemical & Physical Properties Density 1.14 g/cm3 Boiling Point 426ºC at 760 mmHg Melting Point 164.5-165.5ºC Molecular Formula C15H22O3 Molecular Weight 250.33300 Flash Point 225.6ºC Exact Mass 250.15700 PSA 57.53000 LogP 2.76070 Vapour Pressure 4.82E-09mmHg at 25°C Index of Refraction 1.548 InChIKey XJNQXTISSHEQKD-UNXUOHHUSA-N SMILES CC(=CC1CCC(C)C2C1=C(C)CC2O)C(=O)O |
| Use of | Properties Name Hydroxyvalerenic acid Synonym More Synonyms Hydroxyvalerenic acid Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> Others >> Others References [1]. Bos R, et al. Cytotoxic potential of valerian constituents and valerian tinctures. Phytomedicine. 1998 May;5(3):219-25. Chemical & Physical Properties Molecular Formula C15H22O3 Exact Mass 250.15700 PSA 57.53000 LogP 2.76070 Index of Refraction 1.548 InChIKey XJNQXTISSHEQKD-UNXUOHHUSA-N |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
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