Deacetylvismione A
| Internal ID | f0caa0b2-fda1-491e-8dd5-379538fc1be6 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 3,8,9-trihydroxy-6-methoxy-3-methyl-7-[(E)-3-methylbut-1-enyl]-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC(C)C=CC1=C(C2=C(C3=C(CC(CC3=O)(C)O)C=C2C=C1OC)O)O |
| SMILES (Isomeric) | CC(C)/C=C/C1=C(C2=C(C3=C(CC(CC3=O)(C)O)C=C2C=C1OC)O)O |
| InChI | InChI=1S/C21H24O5/c1-11(2)5-6-14-16(26-4)8-12-7-13-9-21(3,25)10-15(22)17(13)20(24)18(12)19(14)23/h5-8,11,23-25H,9-10H2,1-4H3/b6-5+ |
| InChI Key | QEMNROQOCQGNHL-AATRIKPKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.10 |
| CHEMBL486404 |
| SCHEMBL16226773 |
| 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 | 99.39% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.82% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.03% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.85% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.81% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.93% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.39% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.91% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.41% | 96.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.69% | 80.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.14% | 94.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 86.13% | 81.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.54% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.26% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.82% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.51% | 94.42% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.12% | 98.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.57% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.45% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.45% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.12% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.20% | 95.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.12% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.06% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.00% | 89.00% |
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.
| Vismia baccifera |
| Vismia lindeniana |
| PubChem | 9998380 |
| LOTUS | LTS0135568 |
| wikiData | Q104397367 |