10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,22,23-triol
| Internal ID | 86e4434d-aed8-456e-b07c-bf9cb7ea0a4f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 10-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,22,23-triol |
| SMILES (Canonical) | CC1(CC2C34CCC5C6(CCC(C(C6CCC5(C3(CC(C2(C(C1)O)C(O4)O)O)C)C)(C)C)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| SMILES (Isomeric) | CC1(CC2C34CCC5C6(CCC(C(C6CCC5(C3(CC(C2(C(C1)O)C(O4)O)O)C)C)(C)C)OC7C(C(C(CO7)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| InChI | InChI=1S/C52H86O23/c1-46(2)14-27-51-13-9-26-48(5)11-10-30(47(3,4)25(48)8-12-49(26,6)50(51,7)16-29(57)52(27,28(56)15-46)45(66)75-51)72-43-39(74-42-38(65)35(62)32(59)22(17-53)69-42)34(61)24(20-68-43)71-44-40(36(63)33(60)23(18-54)70-44)73-41-37(64)31(58)21(55)19-67-41/h21-45,53-66H,8-20H2,1-7H3 |
| InChI Key | OQQABMONOLWXGW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H86O23 |
| Molecular Weight | 1079.20 g/mol |
| Exact Mass | 1078.55598899 g/mol |
| Topological Polar Surface Area (TPSA) | 366.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of 10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,22,23-triol](https://plantaedb.com/storage/docs/compounds/2023/11/72bbd250-8541-11ee-bf44-d592780ff758.jpg "2D Structure of 10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,22,23-triol")
| 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 | 95.52% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.12% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.46% | 90.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.45% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.06% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.50% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.12% | 96.43% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 88.59% | 95.36% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.50% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.40% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.88% | 97.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.46% | 95.38% |
| CHEMBL3589 | P55263 | Adenosine kinase | 87.10% | 98.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.79% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.95% | 95.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.84% | 97.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.74% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.34% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.64% | 92.88% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.39% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.97% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.78% | 94.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.53% | 92.98% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.25% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.75% | 92.94% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.61% | 95.83% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.05% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.86% | 92.62% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.68% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.61% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.12% | 92.50% |
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.
| Lysimachia capillipes |
| PubChem | 73018055 |
| LOTUS | LTS0101817 |
| wikiData | Q105117956 |