19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-allopyranosyloxy)-25-(beta-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3beta,5beta,9beta,10alpha,23E]-
| Internal ID | c7096db1-8542-4c61-ad48-59b256774671 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides |
| IUPAC Name | (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-5,9,17,17-tetramethyl-8-[(E,2R)-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(CC=CC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC45C3C=CC6(C4CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)OC5OC)C)C |
| SMILES (Isomeric) | C[C@H](C/C=C/C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3C=C[C@]6([C@H]4CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]5OC)C)C |
| InChI | InChI=1S/C43H70O14/c1-22(10-9-15-38(2,3)56-36-34(51)32(49)30(47)25(21-45)54-36)23-13-16-41(7)26-14-17-43-27(42(26,37(52-8)57-43)19-18-40(23,41)6)11-12-28(39(43,4)5)55-35-33(50)31(48)29(46)24(20-44)53-35/h9,14-15,17,22-37,44-51H,10-13,16,18-21H2,1-8H3/b15-9+/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-,35+,36+,37-,40-,41+,42+,43-/m1/s1 |
| InChI Key | NKVQKVICRWILPJ-UZHYQYIHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H70O14 |
| Molecular Weight | 811.00 g/mol |
| Exact Mass | 810.47655690 g/mol |
| Topological Polar Surface Area (TPSA) | 217.00 Ų |
| XlogP | 3.00 |
| 19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-allopyranosyloxy)-25-(beta-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3beta,5beta,9beta,10alpha,23E]- |
| 333333-14-5 |
![2D Structure of 19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-allopyranosyloxy)-25-(beta-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3beta,5beta,9beta,10alpha,23E]-](https://plantaedb.com/storage/docs/compounds/2023/11/10844150-85c7-11ee-a758-95d6617a6a94.jpg "2D Structure of 19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-allopyranosyloxy)-25-(beta-D-glucopyranosyloxy)-5-hydroxy-, cyclic 9,5-(methyl acetal), [C(R),3beta,5beta,9beta,10alpha,23E]-")
| 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 | 98.94% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.58% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.33% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.85% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.47% | 95.89% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 93.64% | 97.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.48% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 90.31% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.98% | 91.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.58% | 91.07% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.49% | 91.24% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.96% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.51% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.61% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.90% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.87% | 86.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.87% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.57% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.23% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.02% | 98.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.59% | 95.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.19% | 95.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.69% | 95.83% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.67% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.64% | 93.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.11% | 97.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.51% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.69% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.27% | 96.00% |
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 charantia |
| PubChem | 101077718 |
| LOTUS | LTS0172579 |
| wikiData | Q105181191 |