Cyclopassifloside V
| Internal ID | 32477b77-39a0-4573-84e8-cf7ad77d71cc |
| 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-[2,5-dihydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]heptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate |
| SMILES (Canonical) | CC(C)C(CCC(C)(C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)O)(COC7C(C(C(C(O7)CO)O)O)O)O |
| SMILES (Isomeric) | CC(C)C(CCC(C)(C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)O)(COC7C(C(C(C(O7)CO)O)O)O)O |
| InChI | InChI=1S/C43H72O17/c1-20(2)42(56,19-57-34-32(52)30(50)28(48)21(16-44)58-34)14-12-39(5,55)23-9-10-37(3)24-7-8-25-40(6,36(54)60-35-33(53)31(51)29(49)22(17-45)59-35)26(46)15-27(47)43(25)18-41(24,43)13-11-38(23,37)4/h20-35,44-53,55-56H,7-19H2,1-6H3 |
| InChI Key | UIIFJGIBPPAIOI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C43H72O17 |
| Molecular Weight | 861.00 g/mol |
| Exact Mass | 860.47695082 g/mol |
| Topological Polar Surface Area (TPSA) | 297.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.67% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.38% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.15% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.05% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.94% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.80% | 98.10% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.74% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.50% | 85.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 94.33% | 85.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.97% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.80% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.39% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.34% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.25% | 96.21% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.60% | 95.71% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.92% | 89.05% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.28% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.84% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.54% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.37% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.26% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.24% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.77% | 91.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.63% | 82.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.13% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.74% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.52% | 94.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.74% | 97.47% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 83.46% | 97.86% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.30% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.11% | 95.93% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.04% | 93.04% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.54% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.27% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.16% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.45% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.44% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.01% | 89.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.85% | 90.93% |
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.
| Clerodendrum kaichianum |
| Passiflora edulis |
| Teucrium polium |
| PubChem | 73800252 |
| LOTUS | LTS0082811 |
| wikiData | Q105027273 |