1,6,8-trihydroxy-3-methyl-2,4,7-tris(3-methylbut-2-enyl)-10H-anthracen-9-one
| Internal ID | 70946d55-43db-436e-b7a3-59e94d90a79c |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 1,6,8-trihydroxy-3-methyl-2,4,7-tris(3-methylbut-2-enyl)-10H-anthracen-9-one |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1CC=C(C)C)O)C(=O)C3=C(C(=C(C=C3C2)O)CC=C(C)C)O)CC=C(C)C |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1CC=C(C)C)O)C(=O)C3=C(C(=C(C=C3C2)O)CC=C(C)C)O)CC=C(C)C |
| InChI | InChI=1S/C30H36O4/c1-16(2)8-11-21-19(7)22(12-9-17(3)4)28(32)27-24(21)14-20-15-25(31)23(13-10-18(5)6)29(33)26(20)30(27)34/h8-10,15,31-33H,11-14H2,1-7H3 |
| InChI Key | OEFKGWWIZZKIAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O4 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 9.00 |
| 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 | 98.56% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.93% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.56% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.62% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.47% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.89% | 89.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.17% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.00% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.83% | 95.64% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.21% | 80.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.68% | 95.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.13% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.81% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.26% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.31% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.25% | 100.00% |
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 |
| PubChem | 162909884 |
| LOTUS | LTS0182381 |
| wikiData | Q105190227 |