1,6,8-trihydroxy-4-(4-hydroxy-3-methylbut-2-enyl)-3-methyl-2,5-bis(3-methylbut-2-enyl)-10H-anthracen-9-one
| Internal ID | db98aef6-55ec-4890-b672-1c1aaac1d81a |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 1,6,8-trihydroxy-4-(4-hydroxy-3-methylbut-2-enyl)-3-methyl-2,5-bis(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)CC=C(C)C)O)O)CC=C(C)CO |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1CC=C(C)C)O)C(=O)C3=C(C=C(C(=C3C2)CC=C(C)C)O)O)CC=C(C)CO |
| InChI | InChI=1S/C30H36O5/c1-16(2)7-10-21-19(6)20(12-9-18(5)15-31)23-13-24-22(11-8-17(3)4)25(32)14-26(33)27(24)30(35)28(23)29(21)34/h7-9,14,31-34H,10-13,15H2,1-6H3 |
| InChI Key | HWBZNKUMPLNRTR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O5 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 7.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.95% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.10% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.99% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.37% | 89.34% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.57% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.11% | 94.45% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.81% | 80.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.81% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.96% | 96.90% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.79% | 96.12% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.95% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.77% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.64% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 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 japurensis |
| PubChem | 162933873 |
| LOTUS | LTS0242762 |
| wikiData | Q105034588 |