4-(4,5-Dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,7-dihydroxy-3,9-dimethoxy-2,5-dimethyl-3,4-dihydrotetracene-1,6,11-trione
| Internal ID | 35f74dea-542f-401e-b5d9-5f4c9a5e891f |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | 4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,7-dihydroxy-3,9-dimethoxy-2,5-dimethyl-3,4-dihydrotetracene-1,6,11-trione |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)C)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)C)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O |
| InChI | InChI=1S/C29H32O12/c1-10-17-14(21(32)13-7-12(37-4)8-16(30)19(13)22(17)33)9-15-18(10)24(27(39-6)29(3,36)26(15)35)41-28-25(38-5)23(34)20(31)11(2)40-28/h7-9,11,20,23-25,27-28,30-31,34,36H,1-6H3 |
| InChI Key | QDSIIYAZDKMMNZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H32O12 |
| Molecular Weight | 572.60 g/mol |
| Exact Mass | 572.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 1.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.04% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.84% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.11% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.95% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.72% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.60% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.28% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.20% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.12% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.59% | 93.40% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.21% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.51% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.32% | 96.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.60% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.18% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.37% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.83% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.82% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.64% | 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.
| There are no matching plants. |
| PubChem | 163057150 |
| LOTUS | LTS0124448 |
| wikiData | Q105218947 |