Orizabin VIII
| Internal ID | dfd717bc-1c2d-4d13-b9cb-7faf37f7c32a |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-26-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-3-[(2S)-2-methylbutanoyl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-24-yl]methyl (2R,3R)-3-hydroxy-2-methylbutanoate |
| SMILES (Canonical) | CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)OC(=O)C(C)CC)OC5C(C(C(OC5O1)C)O)O)COC(=O)C(C)C(C)O)O |
| SMILES (Isomeric) | CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O)O)O)O)OC(=O)[C@@H](C)CC)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5O1)C)O)O)COC(=O)[C@H](C)[C@@H](C)O)O |
| InChI | InChI=1S/C50H86O22/c1-9-11-17-20-30-21-18-15-13-12-14-16-19-22-32(52)68-41-35(55)31(23-62-46(61)25(4)26(5)51)67-50(71-42-37(57)34(54)28(7)64-48(42)66-30)44(41)72-49-43(69-45(60)24(3)10-2)39(59)40(29(8)65-49)70-47-38(58)36(56)33(53)27(6)63-47/h24-31,33-44,47-51,53-59H,9-23H2,1-8H3/t24-,25+,26+,27+,28+,29-,30-,31+,33+,34+,35+,36-,37-,38+,39+,40-,41-,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| InChI Key | MTNNYMSRZLOLMA-SUEAJDNPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C50H86O22 |
| Molecular Weight | 1039.20 g/mol |
| Exact Mass | 1038.56107437 g/mol |
| Topological Polar Surface Area (TPSA) | 315.00 Ų |
| XlogP | 3.40 |
| CHEMBL500529 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.15% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.94% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.71% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.98% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.23% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.43% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.11% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.72% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.69% | 96.61% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.01% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.84% | 89.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.26% | 93.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.74% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.45% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.42% | 94.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.18% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.17% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.00% | 97.09% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 87.81% | 97.78% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 87.43% | 98.57% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.33% | 90.71% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.05% | 90.24% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.36% | 95.64% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.65% | 95.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.15% | 98.75% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.99% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.33% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.17% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.47% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.35% | 100.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.80% | 96.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.66% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.30% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.27% | 96.90% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.08% | 92.88% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.76% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.32% | 97.36% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.30% | 96.37% |
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.
| Ipomoea orizabensis |
| PubChem | 21635820 |
| LOTUS | LTS0192377 |
| wikiData | Q105171785 |