Balsaminoside A
| Internal ID | a7601563-15a9-4b5d-866c-bbe04c8d8079 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | (2S,3S,4S,5R,6S)-2-[[(3S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C |
| SMILES (Isomeric) | C[C@H](C/C=C/C(C)(C)OC)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)O[C@@H]5[C@H]([C@H]([C@H]([C@@H](O5)CO)O)O)O)C)C)C |
| InChI | InChI=1S/C37H62O8/c1-21(11-10-15-33(2,3)43-9)22-14-16-37(8)31-25(44-32-30(42)29(41)28(40)26(20-38)45-32)19-24-23(12-13-27(39)34(24,4)5)35(31,6)17-18-36(22,37)7/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25+,26+,27+,28+,29+,30+,31-,32+,35+,36-,37+/m1/s1 |
| InChI Key | SIFXZLRBHSSMMW-CUSGLKLLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H62O8 |
| Molecular Weight | 634.90 g/mol |
| Exact Mass | 634.44446893 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 5.20 |
| CHEMBL609464 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.72% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.04% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.34% | 95.89% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 92.14% | 99.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.06% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.50% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.36% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.93% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.72% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.13% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.69% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.17% | 87.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.42% | 91.03% |
| CHEMBL5028 | O14672 | ADAM10 | 82.28% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.78% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.45% | 97.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.18% | 97.36% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.08% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.74% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.65% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.52% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.43% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.17% | 93.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Momordica balsamina |
| PubChem | 44555454 |
| LOTUS | LTS0247470 |
| wikiData | Q105253723 |