| Identification | Back Directory | [Name]
PUBERULICACID | [CAS]
99-23-0 | [Synonyms]
PUBERULICACID
Puberulic acid Ⅱ
Puberulic acid / Puberlic acid
3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo- | [Molecular Formula]
C8H6O6 | [MOL File]
99-23-0.mol | [Molecular Weight]
198.13 |
| Chemical Properties | Back Directory | [Melting point ]
316-318° | [Boiling point ]
233.9±40.0 °C(Predicted) | [density ]
2.069±0.06 g/cm3(Predicted) | [pka]
3.16±0.20(Predicted) | [InChI]
InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12) | [InChIKey]
RRDGXYZZWSIADF-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)C=C(O)C(=O)C(O)=C(O)C=1 |
| Hazard Information | Back Directory | [Uses]
Puberulic acid Ⅰ possesses anti-malarial activity with an IC50 value of 0.050?μM against Plasmodium falciparum K1 (chloroquine-resistant)[1]. | [References]
[1] Sennari G, et al. Antimalarial troponoids, puberulic acid and viticolins; divergent synthesis and structure-activity relationship studies. Sci Rep. 2017 Aug 3;7(1):7259. DOI:10.1038/s41598-017-07718-3 |
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