1,8-Dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-1-enyl)anthracene-9,10-dione
| Internal ID | f52d0614-4691-486c-9799-b99723704fca |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 1,8-dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-1-enyl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C=CC(C)C)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C=CC(C)C)O |
| InChI | InChI=1S/C21H20O5/c1-10(2)5-6-12-16(26-4)9-14-18(20(12)24)21(25)17-13(19(14)23)7-11(3)8-15(17)22/h5-10,22,24H,1-4H3 |
| InChI Key | FMUNWYQUOSZHBF-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 | 97.55% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.43% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.07% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.28% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.69% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.43% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.56% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.27% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.29% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.85% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.72% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.95% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.65% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.22% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.83% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.68% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.21% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.79% | 91.07% |
| CHEMBL1921 | P47901 | Vasopressin V1b receptor | 80.34% | 92.50% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.06% | 96.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.06% | 96.38% |
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.
| Cratoxylum formosum |
| Harungana madagascariensis |
| Psorospermum androsaemifolium |
| Psorospermum laurentii |
| Vismia baccifera |
| PubChem | 628167 |
| LOTUS | LTS0173458 |
| wikiData | Q104166544 |