[19-(Furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 52c16945-b873-4a1f-9388-9d032972acd4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | [19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1(C2C(=O)C(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)OC(=O)C=CC8=CC=C(C=C8)O)C |
| SMILES (Isomeric) | CC1(C2C(=O)C(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)OC(=O)C=CC8=CC=C(C=C8)O)C |
| InChI | InChI=1S/C35H36O11/c1-31(2)26-25(39)28(43-23(37)10-7-18-5-8-20(36)9-6-18)33(4)21(34(26)17-42-24(38)15-22(34)45-31)11-13-32(3)27(19-12-14-41-16-19)44-30(40)29-35(32,33)46-29/h5-10,12,14,16,21-22,26-29,36H,11,13,15,17H2,1-4H3 |
| InChI Key | HXMBSFXEYMTQRP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H36O11 |
| Molecular Weight | 632.70 g/mol |
| Exact Mass | 632.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [19-(Furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/aa5ccd20-860a-11ee-a165-0fcc1c27bf32.jpg "2D Structure of [19-(Furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] 3-(4-hydroxyphenyl)prop-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 | 98.88% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.00% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.91% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.57% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.22% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.75% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.31% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.95% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.63% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.18% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.86% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.46% | 95.92% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.85% | 96.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.34% | 97.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.78% | 93.99% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.51% | 85.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.90% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.74% | 91.19% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.49% | 100.00% |
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.
| Microula sikkimensis |
| PubChem | 78385058 |
| LOTUS | LTS0055757 |
| wikiData | Q105035065 |