Cycloaspeptide F
| Internal ID | a88559ee-e7bb-4d4e-95b2-12b4c8eb910c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H53N5O11/c1-23(2)19-30-41(56)47(5)32(21-26-15-17-27(18-16-26)57-42-36(51)35(50)34(49)33(22-48)58-42)38(53)44-29-14-10-9-13-28(29)37(52)43-24(3)40(55)46(4)31(39(54)45-30)20-25-11-7-6-8-12-25/h6-18,23-24,30-36,42,48-51H,19-22H2,1-5H3,(H,43,52)(H,44,53)(H,45,54)/t24-,30-,31-,32-,33+,34+,35-,36+,42+/m0/s1 |
| InChI Key | HGCDDJBOTFSYBL-HEZYXVPISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H53N5O11 |
| Molecular Weight | 803.90 g/mol |
| Exact Mass | 803.37415752 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | 2.50 |
| DTXSID001017573 |
| 1174132-23-0 |
| (4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-((4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl)-2,5,8,11,14-pentazabicyclo(14.4.0)icosa-1(20),16,18-triene-3,6,9,12,15-pentone |
| (4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone |
| RefChem:129373 |
| DTXCID401475757 |
| (4S,7S,10S,13S)-7-benzyl-4,6,12-trimethyl-10-(2-methylpropyl)-13-((4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl)-3,6,9,12,15-pentazabicyclo(14.4.0)icosa-1(20),16,18-triene-2,5,8,11,14-pentone |
| CHEMBL553621 |
| CHEBI:198160 |
| 4-{[(3S,6S,9S,12S)-9-Benzyl-4,10,12-trimethyl-6-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydro-1,4,7,10,13-benzopentaazacyclohexadecin-3-yl]methyl}phenyl beta-D-glucopyranoside |
| 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 | 99.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.96% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.93% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.94% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.00% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.14% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.52% | 86.33% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.91% | 96.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.23% | 90.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.13% | 89.67% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.56% | 96.61% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.70% | 94.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.63% | 93.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.32% | 90.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.76% | 90.08% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.37% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.15% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.58% | 94.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.56% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.11% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.06% | 97.09% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.84% | 98.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.66% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.63% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.56% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.46% | 96.00% |
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 | 44234959 |
| LOTUS | LTS0070585 |
| wikiData | Q75058529 |