Alvaradoin D
| Internal ID | 806e4ac8-d70f-49c8-a47f-65332925b132 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [(2S,3R,4R,5S)-5-acetyloxy-3-hydroxy-2-[(9S)-4,5,9-trihydroxy-2-methoxy-7-methyl-10-oxoanthracen-9-yl]oxan-4-yl] 3-methylbut-2-enoate |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(CO4)OC(=O)C)OC(=O)C=C(C)C)O)O)C=C(C=C3O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@]2([C@@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C)OC(=O)C=C(C)C)O)O)C=C(C=C3O)OC |
| InChI | InChI=1S/C28H30O11/c1-12(2)6-21(32)39-26-20(38-14(4)29)11-37-27(25(26)34)28(35)16-7-13(3)8-18(30)22(16)24(33)23-17(28)9-15(36-5)10-19(23)31/h6-10,20,25-27,30-31,34-35H,11H2,1-5H3/t20-,25+,26-,27-,28-/m0/s1 |
| InChI Key | OLGFJNYTTKMULR-ZEHGOETFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H30O11 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 2.70 |
| CHEMBL510048 |
| 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 | 99.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.80% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.75% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.50% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.61% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 93.16% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.07% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.75% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.47% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.17% | 92.94% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.02% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.74% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.32% | 90.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.89% | 80.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.84% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.18% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.12% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.51% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.92% | 99.15% |
| CHEMBL204 | P00734 | Thrombin | 82.81% | 96.01% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.70% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.30% | 97.09% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.25% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.20% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.14% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.22% | 96.95% |
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.
| Alvaradoa jamaicensis |
| PubChem | 44558979 |
| LOTUS | LTS0212561 |
| wikiData | Q105193961 |