Dehydroaglaiastatin
| Internal ID | 27b7e363-bc2e-4be7-a2fe-88f593d9933e |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C23C(C4=C(C2(C5=C(O3)C=C(C=C5OC)OC)O)N=C6CCCN6C4=O)C7=CC=CC=C7 |
| SMILES (Isomeric) | COC1=CC=C(C=C1)[C@]23[C@@H](C4=C([C@]2(C5=C(O3)C=C(C=C5OC)OC)O)N=C6CCCN6C4=O)C7=CC=CC=C7 |
| InChI | InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1 |
| InChI Key | YCIPQJTZJGUXND-JZRGNDHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H28N2O6 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 2.70 |
| 155595-93-0 |
| (2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one |
| C31H28N2O6 |
| CHEMBL466993 |
| SCHEMBL21899566 |
| BDBM287781 |
| BDBM287783 |
| AKOS032962202 |
| CCG-261940 |
| US10085988, Compound (-)-aglaroxin C |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.32% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.43% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.06% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.16% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.65% | 94.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.54% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.68% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 88.37% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.31% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.78% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.36% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.20% | 97.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.17% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.97% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.25% | 93.40% |
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.
| Aglaia elaeagnoidea |
| Aglaia odorata |
| PubChem | 5320808 |
| LOTUS | LTS0185457 |
| wikiData | Q105346305 |