ethyl N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate
| Internal ID | 1b3ed71c-87f6-4947-84e5-2acc40d15ef8 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | ethyl N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H33NO12/c1-5-41-29(38)31-16-9-19(42-12(2)24(16)33)43-18-11-30(39,13(3)32)10-15-21(18)28(37)23-22(26(15)35)25(34)14-7-6-8-17(40-4)20(14)27(23)36/h6-8,12,16,18-19,24,33,35,37,39H,5,9-11H2,1-4H3,(H,31,38) |
| InChI Key | YMPKVNDJETUUPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H33NO12 |
| Molecular Weight | 599.60 g/mol |
| Exact Mass | 599.20027549 g/mol |
| Topological Polar Surface Area (TPSA) | 198.00 Ų |
| XlogP | 2.90 |
| 144285-59-6 |
| ethyl N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate |
| Daunomycin, N-carbethoxy- |
| Daunorubicin, N-carbethoxy- |
| DTXSID70932283 |
| 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-{[ethoxy(hydroxy)methylidene]amino}hexopyranoside |
| 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxyl-methoxy-10-((2,3,6-trideoxy-3-((ethoxycarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)- |
![2D Structure of ethyl N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/rubomycin-f.jpg "2D Structure of ethyl N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate")
| 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 | 99.20% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.38% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.84% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.12% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.53% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.28% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.51% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.07% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.34% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.38% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.01% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.98% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.30% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.23% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.01% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.36% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.81% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.77% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 81.53% | 97.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.22% | 96.67% |
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.
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| There are no matching plants. |
| PubChem | 83926 |
| LOTUS | LTS0206347 |
| wikiData | Q82907969 |