Proansamycin B
| Internal ID | 1e7c2f50-0357-4912-a3af-865341b471e0 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H45NO9/c1-15-10-9-11-16(2)35(45)36-24-14-25(37)26-23(34(24)44)13-19(5)31(41)27(26)30(40)18(4)12-17(3)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-15,17,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,45)/b10-9+,16-11-,18-12+/t15-,17-,20+,21+,22+,28-,29-,32+,33+/m0/s1 |
| InChI Key | VSPVHUGKIRWWKU-YKHDVKJESA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C35H45NO9 |
| Molecular Weight | 623.70 g/mol |
| Exact Mass | 623.30943201 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 4.10 |
| (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone |
| 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 | 97.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.68% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.07% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.00% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.86% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.05% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.32% | 93.03% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.24% | 85.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.26% | 96.77% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.29% | 96.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.02% | 96.09% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 85.74% | 95.52% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.62% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.15% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.75% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.45% | 83.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.31% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.30% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.13% | 96.21% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.47% | 91.38% |
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 | 10985017 |
| LOTUS | LTS0097785 |
| wikiData | Q77384488 |