[5-(Furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] 2-methylbut-2-enoate
| Internal ID | b20f06f3-5ec0-4b2f-bdbe-5171ffbc39d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H40O12/c1-8-17(2)24(37)43-25-28(4)16-31(38)29(5,19(28)13-21(35)40-7)32-11-10-27(3)20(14-22(36)42-23(27)18-9-12-41-15-18)34(32)26(33(25,31)39)44-30(6,45-32)46-34/h8-9,12,14-15,19,23,25-26,38-39H,10-11,13,16H2,1-7H3 |
| InChI Key | MPHOFXNCVDRQLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40O12 |
| Molecular Weight | 640.70 g/mol |
| Exact Mass | 640.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [5-(Furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/d00def40-87e0-11ee-b138-5d391db407b1.jpg "2D Structure of [5-(Furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] 2-methylbut-2-enoate")
| 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 | 98.53% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.12% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.40% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.55% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.78% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.07% | 91.24% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.84% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.37% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.00% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.59% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.29% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.96% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.37% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.88% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.04% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.03% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 80.86% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.59% | 94.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.23% | 80.00% |
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.
| Swietenia mahagoni |
| PubChem | 73070848 |
| LOTUS | LTS0136017 |
| wikiData | Q105169519 |