[6-(Furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] 2-methylpropanoate
| Internal ID | 6e8ec415-8553-4a14-bbea-df5e50ba60a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1C2(CC3(C1(C(=O)C4=C5CC(=O)OC(C5(CCC4C3(C2CC(=O)OC)C)C)C6=COC=C6)O)OC(=O)C(C)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1C2(CC3(C1(C(=O)C4=C5CC(=O)OC(C5(CCC4C3(C2CC(=O)OC)C)C)C6=COC=C6)O)OC(=O)C(C)C)C |
| InChI | InChI=1S/C35H44O11/c1-17(2)28(39)45-30-32(6)16-34(46-29(40)18(3)4)33(7,22(32)14-23(36)42-8)20-9-11-31(5)21(25(20)26(38)35(30,34)41)13-24(37)44-27(31)19-10-12-43-15-19/h10,12,15,17-18,20,22,27,30,41H,9,11,13-14,16H2,1-8H3 |
| InChI Key | GAOIOSVEJZALMD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H44O11 |
| Molecular Weight | 640.70 g/mol |
| Exact Mass | 640.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of [6-(Furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/447663e0-8724-11ee-9515-5512396a48d2.jpg "2D Structure of [6-(Furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] 2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.22% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.87% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.81% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.16% | 92.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.11% | 92.88% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.18% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.77% | 97.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.94% | 94.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.88% | 91.38% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.36% | 94.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.99% | 91.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.40% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 84.98% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.31% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.21% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.17% | 94.80% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.88% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.81% | 98.59% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.22% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.56% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.31% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.18% | 94.00% |
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.
| Xylocarpus moluccensis |
| PubChem | 75033925 |
| LOTUS | LTS0211114 |
| wikiData | Q105005516 |