Mannosylxylarinolide
| Internal ID | 00cad0fc-5868-444f-bc1c-076551385cc3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (1R,3aR,5aR,10aR,10bR,12aR)-1-[(2S,3R,4S,5R)-3-hydroxy-5,6-dimethyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10a,12a-dimethyl-1,2,3,3a,5,5a,6,9,10,10b,11,12-dodecahydroindeno[5,4-g][2]benzoxepin-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56O9/c1-17(2)18(3)31(43-32-30(40)29(39)28(38)25(15-35)42-32)27(37)19(4)22-9-10-23-21-8-7-20-16-41-26(36)12-14-33(20,5)24(21)11-13-34(22,23)6/h8,17-20,22-25,27-32,35,37-40H,7,9-16H2,1-6H3/t18-,19+,20+,22-,23+,24+,25-,27-,28-,29+,30+,31+,32+,33+,34-/m1/s1 |
| InChI Key | DLBLYAWIXBZHLH-AIBBNWBVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56O9 |
| Molecular Weight | 608.80 g/mol |
| Exact Mass | 608.39243336 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 4.40 |
| (1R,3aR,5aR,10aR,10bR,12aR)-1-[(2S,3R,4S,5R)-3-hydroxy-5,6-dimethyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10a,12a-dimethyl-1,2,3,3a,5,5a,6,9,10,10b,11,12-dodecahydroindeno[5,4-g][2]benzoxepin-8-one |
| (1R,3aR,5aR,10aR,10bR,12aR)-1-((2S,3R,4S,5R)-3-hydroxy-5,6-dimethyl-4-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyheptan-2-yl)-10a,12a-dimethyl-1,2,3,3a,5,5a,6,9,10,10b,11,12-dodecahydroindeno(5,4-g)(2)benzoxepin-8-one |
| RefChem:155696 |
| CHEBI:205827 |
| 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 | 98.96% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.03% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.89% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.57% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.56% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.65% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.20% | 96.38% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.55% | 99.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.89% | 91.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.60% | 98.10% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.16% | 92.88% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.82% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.69% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.59% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.29% | 95.93% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.70% | 93.18% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146682582 |
| LOTUS | LTS0079440 |
| wikiData | Q104984061 |