Phaseolus epsilon
| Internal ID | 33094bb6-9e9f-4a00-9c20-ff2f64e6bcff |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| SMILES (Canonical) | CC12C3C(C45CC(=C)C(C4)(CCC5C3(CC(C1O)OC6C(C(C(C(O6)CO)O)O)O)OC2=O)O)C(=O)O |
| SMILES (Isomeric) | C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@@H]([C@@H]1O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC2=O)O)C(=O)O |
| InChI | InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,20+,22-,23-,24-,25+/m0/s1 |
| InChI Key | RWSSUUKUVKNZLZ-AWWNFJCHSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C25H34O12 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | -2.30 |
| Phaseolus e |
| Gibberellin A8 2-glucoside |
| CHEBI:197000 |
| DTXSID801101615 |
| Gibberellin A8 3-glucopyranoside (incorr.) |
| (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| 18894-12-7 |
| Gibbane-1,10-dicarboxylic acid, 3-(I(2)-D-glucopyranosyloxy)-2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1I+/-,2I(2),3I(2),4aI+/-,4bI(2),10I(2))- |
| 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 | 95.70% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.49% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.62% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.62% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.67% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.63% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.20% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.70% | 93.04% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.45% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.87% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.60% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.92% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.87% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.47% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.92% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.86% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.02% | 94.33% |
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.
| Phaseolus coccineus |
| PubChem | 12305149 |
| LOTUS | LTS0024281 |
| wikiData | Q105246718 |