CAS 1398-78-3: colocynthin
Description:Colocynthin, with the CAS number 1398-78-3, is a chemical compound derived from the colocynth plant (Citrullus colocynthis), which is known for its medicinal properties. This substance is primarily recognized for its role as a glycoside, exhibiting both laxative and potential anti-inflammatory effects. Colocynthin is characterized by its bitter taste, which is typical of many compounds found in the colocynth plant. It is soluble in water and alcohol, making it accessible for various extraction and formulation processes. The compound has been studied for its pharmacological properties, particularly in traditional medicine, where it has been used to treat digestive disorders. However, caution is advised due to its toxicity at higher doses, which can lead to adverse effects. As with many natural compounds, the therapeutic use of colocynthin requires careful consideration of dosage and potential side effects, emphasizing the importance of further research to fully understand its efficacy and safety profile in clinical applications.
Formula:C38H54O13
InChI:InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1
InChI key:InChIKey=QKEJRKXVLGOJMB-YYBMGDPWSA-N
SMILES:O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C
- Synonyms:
- (4R,9beta,16alpha,23E)-2-(D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate
- (9β,10α,16α,23E)-25-(Acetyloxy)-2-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
- 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16-alpha,20,25-trihydroxy-, 25-acetate
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-, (9β,10α,16α,23E)-
- 2-O-β-<span class="text-smallcaps">D</span>-Glucopyranosylcucurbitacin E
- Coloside A
- Cucurbitacin E 2-O-β-<span class="text-smallcaps">D</span>-glucopyranoside
- Cucurbitacin E 2-O-β-<span class="text-smallcaps">D</span>-glucoside
- Cucurbitacin E-2-O-glucoside
- Cueg
- See more synonyms
- Elaterin, 2-beta-glucopyranoside
- Elaterinide
- Gratiotoxin
- Unii-6984R18595
- alpha-Elaterin 2-D-glucopyranoside
- beta-Glucoside de LA curcurbitaine (E)
- α-Elaterin 2-<span class="text-smallcaps">D</span>-glucopyranoside