Introduction：Basic information about CAS 93772-31-7|Neogambogic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Neogambogic acid |
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| CAS Number | 93772-31-7 | Molecular Weight | 646.766 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 810.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C38H46O9 | Melting Point | / |
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| MSDS | / | Flash Point | 250.2±27.8 °C |
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Names
| Name | Neo-gambogic acid |
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| Synonym | More Synonyms |
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Neogambogic acid BiologicalActivity
| Description | Neogambogic acid, an active ingredient in garcinia, induces apoptosis and has anticancer effect. Neogambogic acid has significant inhibitory activity toward methicillin-resistant Staphylococcus aureus (MRSA)[1][2]. |
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| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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| In Vitro | Neogambogic acid inhibits HCT-8, Bel-7402, BGC-823, A549, and A2780 cell proliferation, with an IC50 between 1.75 and 3 μM. Neogambogic acid induces A549 cells apoptosis arrested the cells to G0/G1 phase in vitro[1]. |
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| In Vivo | Neogambogic acid arrests A549-induced tumor growth in nude mice[1]. |
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| References | [1]. Wang K, et al. The mechanism of neogambogic acid-induced apoptosis in human MCF-7 cells.Acta Biochim Biophys Sin (Shanghai). 2011 Sep;43(9):698-702. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 810.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C38H46O9 |
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| Molecular Weight | 646.766 |
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| Flash Point | 250.2±27.8 °C |
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| Exact Mass | 646.314209 |
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| PSA | 139.59000 |
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| LogP | 8.19 |
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| Vapour Pressure | 0.0±3.0 mmHg at 25°C |
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| Index of Refraction | 1.627 |
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| InChIKey | BLDWFKHVHHINGR-GFUVXZESSA-N |
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| SMILES | CC(C)=CCCC1(C)CC(O)c2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O |
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Synonyms
| 2-Butenoic acid,4-(3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-2-methyl |
| neogambogic acid |
| 2-Butenoic acid, 4-[3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-, (2E)- |
| V1982 |
| (2E)-4-[10,12-Dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0.0.0.0]docosa-4(13),5,11,15-tetraen-19 
-yl]-2-methyl-2-butenoic acid |
| 2-Butenoic acid, 4-(3a,4,5,7,10,11-hexahydro-8,9-dihydroxy-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,9H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-2-methyl- |
