apicidin D2
| Internal ID | e8068cfa-2ba2-4d78-aa93-d54ad11683a5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,6S,9S,12R)-3-butan-2-yl-9-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,24-,26-,27-,29+,30-/m0/s1 |
| InChI Key | XSKZVBPNWYDMNT-YWHDRAQFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H51N5O6 |
| Molecular Weight | 625.80 g/mol |
| Exact Mass | 625.38393436 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 4.90 |
| SCHEMBL19605612 |
| CHEBI:221497 |
| (3S,6S,9S,12R)-3-butan-2-yl-9-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.71% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.39% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 99.39% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.16% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.13% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.99% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.37% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.35% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.84% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 95.47% | 89.76% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.67% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.18% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.30% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.61% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.61% | 82.38% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.55% | 95.92% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.37% | 82.69% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.05% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.00% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.89% | 91.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 84.68% | 95.51% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.10% | 99.23% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.00% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.87% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.81% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.57% | 92.88% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.53% | 89.62% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 82.50% | 96.31% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.16% | 98.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.01% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.60% | 96.47% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.20% | 88.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.81% | 94.66% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.61% | 91.81% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.09% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 11017597 |
| LOTUS | LTS0211015 |
| wikiData | Q77570216 |