Dermocanarin 1
| Internal ID | 73de27d8-d022-4328-9383-589e1afc321f |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (13R)-3,13,21-trihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2,4,6,8,10,17,20(25),21,23,27-undecaene-15,19,26-trione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C(C=C3C2=O)OC)C5=C(C6=C(C=C(C=C6C=C5CC(CC(=O)O4)(C)O)OC)OC)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C4C(=C(C=C3C2=O)OC)C5=C(C6=C(C=C(C=C6C=C5C[C@@](CC(=O)O4)(C)O)OC)OC)O |
| InChI | InChI=1S/C33H28O10/c1-14-6-18-26(20(34)7-14)31(38)27-19(29(18)36)11-22(42-5)28-25-16(12-33(2,39)13-23(35)43-32(27)28)8-15-9-17(40-3)10-21(41-4)24(15)30(25)37/h6-11,34,37,39H,12-13H2,1-5H3/t33-/m1/s1 |
| InChI Key | GMHTVISKDLAFHJ-MGBGTMOVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H28O10 |
| Molecular Weight | 584.60 g/mol |
| Exact Mass | 584.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 | 99.32% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.52% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.51% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.62% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.71% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.29% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.68% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.29% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.77% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.38% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.34% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.17% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 89.43% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.89% | 91.07% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.62% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.08% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.89% | 94.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.68% | 92.68% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.86% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.39% | 91.03% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.35% | 94.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 82.43% | 98.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.13% | 80.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.95% | 91.00% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 81.69% | 81.14% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.29% | 93.18% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.18% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.12% | 91.49% |
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 | 100998343 |
| LOTUS | LTS0106964 |
| wikiData | Q105011831 |