[16-Acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] 3-phenylprop-2-enoate
| Internal ID | 41cb8a1e-c94d-4c5f-ab48-74b99db8e4b5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | [16-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(=O)OC1CC(C2(C3CCC4(C(CC=C4C3(C(C5C2C1(CO5)C)O)C)C6=COC=C6)C)C)OC(=O)C=CC7=CC=CC=C7 |
| SMILES (Isomeric) | CC(=O)OC1CC(C2(C3CCC4(C(CC=C4C3(C(C5C2C1(CO5)C)O)C)C6=COC=C6)C)C)OC(=O)C=CC7=CC=CC=C7 |
| InChI | InChI=1S/C37H44O7/c1-22(38)43-28-19-29(44-30(39)14-11-23-9-7-6-8-10-23)37(5)27-15-17-34(2)25(24-16-18-41-20-24)12-13-26(34)36(27,4)33(40)31-32(37)35(28,3)21-42-31/h6-11,13-14,16,18,20,25,27-29,31-33,40H,12,15,17,19,21H2,1-5H3 |
| InChI Key | URQZJLPVQSJQOL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H44O7 |
| Molecular Weight | 600.70 g/mol |
| Exact Mass | 600.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 95.20 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of [16-Acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/69bab900-8545-11ee-97d9-d56bcc3ed23d.jpg "2D Structure of [16-Acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-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 | 98.80% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.01% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.43% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.00% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.62% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.24% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.54% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.20% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.89% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 90.68% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.18% | 99.23% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.12% | 89.44% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.37% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.89% | 91.19% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.61% | 94.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.08% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.65% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.88% | 83.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.70% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.97% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.79% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.64% | 97.14% |
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 volkensii |
| PubChem | 85149419 |
| LOTUS | LTS0189871 |
| wikiData | Q105277983 |