[6-(Furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-phenylprop-2-enoate
| Internal ID | 98a98cb3-bd45-45f6-a896-2e720c0dc6b5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(CC(C6(C5C4OC6)C)O)OC(=O)C=CC7=CC=CC=C7)C)CC(=O)OC)C |
| SMILES (Isomeric) | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(CC(C6(C5C4OC6)C)O)OC(=O)C=CC7=CC=CC=C7)C)CC(=O)OC)C |
| InChI | InChI=1S/C36H42O8/c1-20-23(22-13-14-41-18-22)15-24-30(20)36(4)25(16-29(39)40-5)35(3)27(44-28(38)12-11-21-9-7-6-8-10-21)17-26(37)34(2)19-42-31(32(34)35)33(36)43-24/h6-14,18,23-27,31-33,37H,15-17,19H2,1-5H3 |
| InChI Key | FCOMMYNXUJVOPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H42O8 |
| Molecular Weight | 602.70 g/mol |
| Exact Mass | 602.28796829 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [6-(Furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b02ee000-856f-11ee-a333-8d5ef3777372.jpg "2D Structure of [6-(Furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-phenylprop-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 | 98.77% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.42% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.75% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.33% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.10% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.81% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.90% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.06% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.33% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 92.72% | 97.50% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 92.17% | 89.44% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 90.62% | 87.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.66% | 93.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.22% | 89.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.80% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.47% | 81.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.07% | 92.62% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.76% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.57% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.52% | 94.73% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.46% | 97.53% |
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.
| Melia azedarach |
| PubChem | 78148403 |
| LOTUS | LTS0129203 |
| wikiData | Q104993256 |