AB 74
| Internal ID | 33c9bbf8-1615-4083-b7e6-3cc14b3752e2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > 2-deoxystreptamine aminoglycosides |
| IUPAC Name | 6'-(1-amino-2-hydroxyethyl)-4-[2,6-dihydroxy-3,5-bis(methylamino)cyclohexyl]oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H39N3O13/c1-23-7-3-8(24-2)11(28)16(10(7)27)34-20-18-17(12(29)9(5-26)33-20)36-21(37-18)19(32)14(31)13(30)15(35-21)6(22)4-25/h6-20,23-32H,3-5,22H2,1-2H3 |
| InChI Key | XQRJFJIKNNEPNI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H39N3O13 |
| Molecular Weight | 541.50 g/mol |
| Exact Mass | 541.24828831 g/mol |
| Topological Polar Surface Area (TPSA) | 258.00 Ų |
| XlogP | -6.10 |
| 11005-98-4 |
| A 16316-C |
| Destomycin B |
| 6'-(1-amino-2-hydroxyethyl)-4-[2,6-dihydroxy-3,5-bis(methylamino)cyclohexyl]oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol |
| Antibiotic A 16316 C |
| AB-74 |
| A 16316 C |
| D-Streptamine, O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1-2-3)-O-beta-D-talopyranosyl-(1-5)-2-deoxy-N,N'-dimethyl- |
| AKOS040747639 |
| 55651-94-0 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.78% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 98.38% | 95.58% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.32% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.27% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.09% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.57% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.81% | 96.61% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.26% | 86.92% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.41% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.67% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.05% | 97.79% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.76% | 95.83% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.18% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.78% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.27% | 94.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.62% | 91.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.13% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.70% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.05% | 97.93% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.60% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.59% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.18% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 197125 |
| LOTUS | LTS0080067 |
| wikiData | Q105339997 |