Neo-debromoaplysiatoxin A
| Internal ID | 15774729-736d-4adc-bd53-f564865cf697 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzylethers |
| IUPAC Name | (1S,4R,6R,9R,13S,14S,15R)-4-hydroxy-9-[(1R)-1-hydroxyethyl]-15-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.01,6]heptadecane-5,7,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H46O10/c1-17(11-12-22(39-7)20-9-8-10-21(34)13-20)27-18(2)24-15-32(42-27)26(28(36)31(6,38)16-30(32,4)5)29(37)41-23(19(3)33)14-25(35)40-24/h8-10,13,17-19,22-24,26-27,33-34,38H,11-12,14-16H2,1-7H3/t17-,18-,19+,22-,23+,24-,26+,27+,31+,32-/m0/s1 |
| InChI Key | MDZUICXVWBXOLO-ZNCFBNBISA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H46O10 |
| Molecular Weight | 590.70 g/mol |
| Exact Mass | 590.30909766 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 3.70 |
| DTXSID701046517 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.36% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.19% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.30% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.00% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.77% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.57% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.69% | 97.79% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.87% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.35% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.83% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.74% | 93.31% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.38% | 93.40% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.82% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.39% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.38% | 93.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.89% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.84% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.97% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.35% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.45% | 99.15% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.32% | 95.00% |
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.
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| There are no matching plants. |
| PubChem | 146683880 |
| LOTUS | LTS0082290 |
| wikiData | Q104246304 |