Aranorosin-2-methyl ether
| Internal ID | ce39967a-f13a-4065-90e9-8297ddc6657f |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (2E,4E,6R)-N-[(1R,2'R,3S,3'S,5R,7S)-2'-methoxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide |
| SMILES (Canonical) | CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C3C(O3)C(=O)C4C2O4)OC1OC |
| SMILES (Isomeric) | CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)N[C@H]1CC2([C@@H]3[C@@H](O3)C(=O)[C@@H]4[C@H]2O4)O[C@H]1OC |
| InChI | InChI=1S/C24H35NO6/c1-5-6-7-8-9-14(2)12-15(3)10-11-17(26)25-16-13-24(31-23(16)28-4)21-19(29-21)18(27)20-22(24)30-20/h10-12,14,16,19-23H,5-9,13H2,1-4H3,(H,25,26)/b11-10+,15-12+/t14-,16+,19-,20+,21-,22+,23-,24?/m1/s1 |
| InChI Key | GKVIDXZWKPCOHE-ZBTRLJRXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H35NO6 |
| Molecular Weight | 433.50 g/mol |
| Exact Mass | 433.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 89.70 Ų |
| XlogP | 4.20 |
| CHEMBL3402607 |
| 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 | 98.58% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.91% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.11% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.47% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.14% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.11% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.46% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.93% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.71% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.60% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.23% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.12% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.57% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.11% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.68% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.86% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.59% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.52% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.42% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.29% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.10% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.72% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.14% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.82% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.48% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.06% | 91.81% |
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.
| There are no matching plants. |
| PubChem | 101898623 |
| LOTUS | LTS0122834 |
| wikiData | Q77573321 |