1,8-Dihydroxy-6-methoxy-3-methyl-2-(3-methylbut-1-enyl)anthracene-9,10-dione
| Internal ID | 23b24010-1449-4313-afd5-da60b08446ff |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,8-dihydroxy-6-methoxy-3-methyl-2-(3-methylbut-1-enyl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1C=CC(C)C)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1C=CC(C)C)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC |
| InChI | InChI=1S/C21H20O5/c1-10(2)5-6-13-11(3)7-14-18(20(13)24)21(25)17-15(19(14)23)8-12(26-4)9-16(17)22/h5-10,22,24H,1-4H3 |
| InChI Key | CIFYDLWUXLYXTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.98% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.71% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.37% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.41% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.03% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.92% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.58% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.31% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.65% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.19% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.87% | 92.68% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.85% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.54% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.69% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.39% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.83% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.07% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.57% | 93.40% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.41% | 80.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.11% | 96.09% |
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 | 628099 |
| LOTUS | LTS0083976 |
| wikiData | Q104959731 |