Neoansamycin B
| Internal ID | c299f0e1-8477-4116-92df-09cc481ee787 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (1S,3Z,8S,10S,11R,12S,15S)-4-ethyl-20-hydroxy-8-methoxy-10-methyl-12-pentyl-2-oxa-14-azahexacyclo[13.7.1.01,10.03,21.011,15.017,22]tricosa-3,17(22),18,20-tetraene-9,13,16-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H37NO6/c1-5-7-8-11-18-24-28(3)26(34)20(36-4)12-9-10-16(6-2)23-21-19(32)14-13-17-22(21)30(28,37-23)15-29(24,25(17)33)31-27(18)35/h13-14,18,20,24,32H,5-12,15H2,1-4H3,(H,31,35)/b23-16-/t18-,20-,24+,28+,29-,30-/m0/s1 |
| InChI Key | TVLUPXCVJZZKDZ-RENLGDBXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H37NO6 |
| Molecular Weight | 507.60 g/mol |
| Exact Mass | 507.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.21% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.04% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.81% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.76% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.89% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.97% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.20% | 91.49% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 93.17% | 92.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.60% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.80% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.31% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.70% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.20% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.69% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.33% | 96.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.28% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.25% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.86% | 89.63% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.52% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.40% | 83.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.88% | 91.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.74% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.62% | 90.08% |
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 | 139587102 |
| LOTUS | LTS0199536 |
| wikiData | Q77521477 |