33-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,7,11,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
| Internal ID | b277bf19-046a-4cee-977e-3c5978a6630d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,7,11,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid |
| SMILES (Canonical) | CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CCCC(CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O |
| SMILES (Isomeric) | CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CCCC(CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O |
| InChI | InChI=1S/C59H88N2O18/c1-36-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(77-58-55(72)53(60)54(71)38(3)76-58)33-50-52(57(73)74)49(69)35-59(75,79-50)34-46(67)30-44(65)28-41(62)19-17-20-42(63)29-45(66)32-51(70)78-56(36)37(2)22-27-43(64)31-48(68)39-23-25-40(61-4)26-24-39/h5-16,18,21,23-26,36-38,41-47,49-50,52-56,58,61-67,69,71-72,75H,17,19-20,22,27-35,60H2,1-4H3,(H,73,74) |
| InChI Key | PBOTZSALXHPXBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C59H88N2O18 |
| Molecular Weight | 1113.30 g/mol |
| Exact Mass | 1112.60321396 g/mol |
| Topological Polar Surface Area (TPSA) | 349.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 33-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,7,11,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/576ef680-836e-11ee-afb1-ab4c84e26c73.jpg "2D Structure of 33-(4-Amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,7,11,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-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 | 99.22% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.31% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.16% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.90% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.16% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.50% | 91.49% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.96% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.06% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.87% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.34% | 97.25% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.57% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.40% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.20% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.90% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.65% | 96.90% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.44% | 83.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.00% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.70% | 91.07% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 82.33% | 92.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.71% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.30% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.67% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.60% | 95.71% |
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 | 74043353 |
| LOTUS | LTS0030632 |
| wikiData | Q104194219 |