(5Z)-5-[(1S,4S,5R,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
| Internal ID | 029c1d4c-77bd-4942-aac1-f4edfdca8e7e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (5Z)-5-[(1S,4S,5R,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one |
| SMILES (Canonical) | CCC(CC12C3CCN1C4CC2OC35C4C(C(=C6C(=C(C(=O)O6)C)OC)O5)C)O |
| SMILES (Isomeric) | CC[C@@H](C[C@@]12[C@H]3CCN1C4C[C@@H]2O[C@]35[C@@H]4[C@@H](/C(=C/6\C(=C(C(=O)O6)C)OC)/O5)C)O |
| InChI | InChI=1S/C22H29NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,24H,5-9H2,1-4H3/b19-18-/t10-,12-,13?,14+,15-,16+,21-,22+/m0/s1 |
| InChI Key | WXCVDEUJZBRYIT-WOOIFVOZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO6 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (5Z)-5-[(1S,4S,5R,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/549b5b60-853b-11ee-90c6-53783a1ca55f.jpg "2D Structure of (5Z)-5-[(1S,4S,5R,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.48% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.08% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.10% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.33% | 96.61% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.67% | 94.66% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.11% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.82% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.58% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.67% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.10% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.44% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.67% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.78% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.73% | 96.47% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.52% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.64% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.17% | 96.43% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.61% | 93.18% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.35% | 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.
| Stemona cochinchinensis |
| PubChem | 163193715 |
| LOTUS | LTS0165215 |
| wikiData | Q105314523 |