CID 139583478
| Internal ID | f4f1d124-2b74-42c0-84f4-5ce1bed0a3ef |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H29NO11/c1-9-21(30)11(28)7-14(38-9)39-13-8-27(2,36)20(26(35)37-3)17-16(13)24(33)19-18(25(17)34)22(31)10-5-4-6-12(29)15(10)23(19)32/h4-6,9,11,13-14,20-21,29-30,33-34,36H,7-8,28H2,1-3H3/t9?,11?,13-,14?,20-,21?,27+/m0/s1 |
| InChI Key | CPJDZTLLDPHJGM-ZDDZLPDHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H29NO11 |
| Molecular Weight | 543.50 g/mol |
| Exact Mass | 543.17406074 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | 2.30 |
| 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 | 99.70% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.66% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.80% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.67% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.38% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.26% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.92% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.16% | 95.93% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.90% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.65% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.50% | 92.88% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.48% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.21% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.98% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.94% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.68% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.48% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.78% | 98.75% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 82.76% | 88.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.98% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.78% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.54% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.06% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 139583478 |
| LOTUS | LTS0082919 |
| wikiData | Q75063034 |