(4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl) octadec-9-enoate
| Internal ID | 277175f8-163a-4bec-90ab-510af4ac1fa3 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (4,5-dihydroxy-2-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl) octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)OC1C2=C(C(=CC(=C2)C)O)C(=O)C3=C1C=C(C=C3O)OC |
| SMILES (Isomeric) | CCCCCCCCC=CCCCCCCCC(=O)OC1C2=C(C(=CC(=C2)C)O)C(=O)C3=C1C=C(C=C3O)OC |
| InChI | InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)40-34-26-20-24(2)21-28(35)31(26)33(38)32-27(34)22-25(39-3)23-29(32)36/h11-12,20-23,34-36H,4-10,13-19H2,1-3H3 |
| InChI Key | VBRSAXVZIFOMBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H46O6 |
| Molecular Weight | 550.70 g/mol |
| Exact Mass | 550.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 10.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.95% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.35% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.29% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.14% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.40% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.65% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.09% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.87% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.18% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.33% | 95.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.18% | 93.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.48% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.92% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.18% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.02% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.67% | 80.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.14% | 95.89% |
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.
| Rheum australe |
| PubChem | 73803272 |
| LOTUS | LTS0265190 |
| wikiData | Q105283454 |