Glucosyl passiflorate
| Internal ID | 95c223a8-075b-4295-a363-6dae46e86d21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-[1-(4,5-dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate |
| SMILES (Canonical) | CC(C)C1(CC(OC1O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)C(CC(C6(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)O |
| SMILES (Isomeric) | CC(C)C1(CC(OC1O)C(C)C2CCC3(C2(CCC45C3CCC6C4(C5)C(CC(C6(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)O |
| InChI | InChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3 |
| InChI Key | KKUOJZVNLJCTPF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C37H60O12 |
| Molecular Weight | 696.90 g/mol |
| Exact Mass | 696.40847734 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 3.60 |
| Passiflorine? |
| CHEBI:191417 |
| [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-[1-(4,5-dihydroxy-4-propan-2-yloxolan-2-yl)ethyl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.17% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.44% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.94% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.65% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.15% | 96.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.10% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.06% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.52% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.24% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.66% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.19% | 95.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.11% | 91.24% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.03% | 92.98% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.96% | 95.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.83% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.91% | 95.71% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.80% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.52% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.12% | 94.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.37% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.88% | 93.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.62% | 82.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.52% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.17% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.76% | 85.14% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 82.73% | 99.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.66% | 92.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.53% | 98.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.35% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.30% | 92.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.26% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.99% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.96% | 91.19% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.74% | 97.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.72% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.06% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.05% | 95.89% |
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.
| Passiflora edulis |
| PubChem | 92023814 |
| LOTUS | LTS0189123 |
| wikiData | Q105142390 |