Alvaradoin A
| Internal ID | 1ff2860a-0408-4a78-a10f-8a20ec139161 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [(2R,3S,4R,5S)-5-acetyloxy-2-[(9S)-4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-3-hydroxyoxan-4-yl] 3-methylbut-2-enoate |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(CO4)OC(=O)C)OC(=O)C=C(C)C)O)C=C(C=C3O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@@H]4[C@@H]([C@H]([C@H](CO4)OC(=O)C)OC(=O)C=C(C)C)O)C=C(C=C3O)OC |
| InChI | InChI=1S/C28H30O10/c1-12(2)6-21(32)38-27-20(37-14(4)29)11-36-28(26(27)34)22-16-7-13(3)8-18(30)23(16)25(33)24-17(22)9-15(35-5)10-19(24)31/h6-10,20,22,26-28,30-31,34H,11H2,1-5H3/t20-,22-,26+,27-,28+/m0/s1 |
| InChI Key | LARBGQKKKKPZPS-DEHKCOQXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H30O10 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 3.80 |
| CHEMBL455345 |
| 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 | 99.10% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.06% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.14% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.75% | 91.07% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.71% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.79% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.39% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.79% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.42% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.05% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.01% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.48% | 92.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.61% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.86% | 90.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.79% | 80.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.52% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.66% | 97.14% |
| CHEMBL204 | P00734 | Thrombin | 81.62% | 96.01% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.83% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.74% | 93.18% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.41% | 91.96% |
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 | 44558972 |
| LOTUS | LTS0124996 |
| wikiData | Q105148861 |