Anacyclamide F10P
| Internal ID | 6d54aaaf-e0a1-4fe2-aa8e-6c001ec557a6 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[(3S,6S,9S,12S,15S,21S,24S,27S,30R,33S)-21-(4-aminobutyl)-24-(2-amino-2-oxoethyl)-6-benzyl-3,12,27-tris(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]acetic acid |
| SMILES (Canonical) | C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CC(=O)N)CO)CC4=CC=C(C=C4)O)CO)CC5=CC=CC=C5)CC(=O)O)CO |
| SMILES (Isomeric) | C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCN)CC(=O)N)CO)CC4=CC=C(C=C4)O)CO)CC5=CC=CC=C5)CC(=O)O)CO |
| InChI | InChI=1S/C51H70N12O17/c52-17-5-4-10-30-50(79)62-18-6-12-39(62)49(78)60-36(25-65)47(76)57-34(23-41(69)70)45(74)55-31(20-27-8-2-1-3-9-27)43(72)61-37(26-66)51(80)63-19-7-11-38(63)48(77)58-32(21-28-13-15-29(67)16-14-28)42(71)59-35(24-64)46(75)56-33(22-40(53)68)44(73)54-30/h1-3,8-9,13-16,30-39,64-67H,4-7,10-12,17-26,52H2,(H2,53,68)(H,54,73)(H,55,74)(H,56,75)(H,57,76)(H,58,77)(H,59,71)(H,60,78)(H,61,72)(H,69,70)/t30-,31-,32+,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChI Key | CEXDHZFNPZDBOF-DWWUOENTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C51H70N12O17 |
| Molecular Weight | 1123.20 g/mol |
| Exact Mass | 1122.49818881 g/mol |
| Topological Polar Surface Area (TPSA) | 461.00 Ų |
| XlogP | -5.50 |
| DTXSID101334469 |
| 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 | 99.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.21% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.43% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.40% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.33% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.95% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.87% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.76% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.40% | 97.05% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 89.52% | 96.25% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 87.82% | 88.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.45% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.08% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.13% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.55% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.14% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.90% | 90.08% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.51% | 95.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.75% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146684873 |
| LOTUS | LTS0105107 |
| wikiData | Q105102391 |