Reblastatin
Internal ID | 62666dfd-9512-4b90-becd-411bd1d61461 |
Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
IUPAC Name | [(4E,8S,9S,10E,12S,13R,14S,16R)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate |
SMILES (Canonical) | CC1CC(C(C(C=C(C(C(CCC=C(C(=O)NC2=CC(=C(C(=C2)O)OC)C1)C)OC)OC(=O)N)C)C)O)OC |
SMILES (Isomeric) | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=C(C(=C2)O)OC)C1)\C)OC)OC(=O)N)\C)C)O)OC |
InChI | InChI=1S/C29H44N2O8/c1-16-11-20-14-21(15-22(32)27(20)38-7)31-28(34)17(2)9-8-10-23(36-5)26(39-29(30)35)19(4)13-18(3)25(33)24(12-16)37-6/h9,13-16,18,23-26,32-33H,8,10-12H2,1-7H3,(H2,30,35)(H,31,34)/b17-9+,19-13+/t16-,18+,23+,24+,25-,26+/m1/s1 |
InChI Key | VFJOOSVDHSUNKR-DQJDZTSCSA-N |
Popularity | 11 references in papers |
Molecular Formula | C29H44N2O8 |
Molecular Weight | 548.70 g/mol |
Exact Mass | 548.30976637 g/mol |
Topological Polar Surface Area (TPSA) | 150.00 Ų |
XlogP | 3.20 |
CHEMBL267792 |
SCHEMBL13009052 |
BDBM50542414 |

Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha |
5 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.76% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.20% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.86% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.80% | 97.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.66% | 92.94% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.69% | 85.14% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 93.85% | 91.03% |
CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.38% | 93.03% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.15% | 95.56% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.14% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.88% | 91.19% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.70% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.47% | 96.95% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.33% | 97.21% |
CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 89.19% | 97.53% |
CHEMBL204 | P00734 | Thrombin | 88.94% | 96.01% |
CHEMBL2535 | P11166 | Glucose transporter | 88.87% | 98.75% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.87% | 96.77% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.28% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.09% | 89.00% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 86.07% | 95.62% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.60% | 94.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.31% | 100.00% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.22% | 94.00% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.16% | 91.07% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.10% | 97.25% |
CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 83.22% | 83.65% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.58% | 85.11% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.53% | 93.18% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.10% | 99.23% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.78% | 97.05% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.31% | 94.80% |
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 | 9807556 |
LOTUS | LTS0093676 |
wikiData | Q44271895 |