11-[5-[5-[5-Amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid
| Internal ID | c35abac4-6101-410a-a065-960d3f4b72e7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 11-[5-[5-[5-amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H80N4O15/c1-9-32-24-57(6)25-37(55(69)70)28(2)60(27-57)51(67)48(54(68)64-60)50(66)59(8)33(21-41(32)65)17-18-35-38(59)14-12-16-43(35)77-45-20-19-42(29(3)73-45)76-47-26-58(7,72)52(31(5)75-47)79-46-23-44(49(61)30(4)74-46)78-56(71)40-22-36-34-13-10-11-15-39(34)62-53(36)63-40/h10-11,13,15,17-18,22,25,28-33,35,38,41-47,49,52,62-63,65-66,72H,9,12,14,16,19-21,23-24,26-27,61H2,1-8H3,(H,64,68)(H,69,70) |
| InChI Key | WBRRERWUHZUEOG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C60H80N4O15 |
| Molecular Weight | 1097.30 g/mol |
| Exact Mass | 1096.56201786 g/mol |
| Topological Polar Surface Area (TPSA) | 283.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 11-[5-[5-[5-Amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/37675ab0-85f8-11ee-910b-9b76cfe46af6.jpg "2D Structure of 11-[5-[5-[5-Amino-4-(3,4-dihydropyrrolo[2,3-b]indole-2-carbonyloxy)-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-ethyl-5,17-dihydroxy-6,20,23-trimethyl-3,25-dioxo-2-azapentacyclo[18.3.1.11,4.06,15.07,12]pentacosa-4,13,21-triene-22-carboxylic acid")
| 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 | 99.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.16% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 99.04% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.62% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.85% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.74% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.53% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.54% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.93% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.90% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.26% | 90.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.79% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.43% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.30% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.92% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.16% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.85% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.80% | 95.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.17% | 97.64% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.92% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.76% | 99.23% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.34% | 97.31% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.02% | 95.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.98% | 91.07% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.77% | 92.98% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.64% | 98.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.13% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.53% | 97.79% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.10% | 96.21% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.58% | 94.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.29% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 162816647 |
| LOTUS | LTS0125181 |
| wikiData | Q104200075 |