Integerrimide B
| Internal ID | 53e9e2b4-a978-4fe9-92b0-9f9cea3a5551 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,6S,9S,12S,15S,18S,21S)-3-(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-15-methyl-9,12-bis(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H58N8O8/c1-20(2)15-27-35(51)43-28(16-21(3)4)36(52)46-32(22(5)6)38(54)45-30(19-48)39(55)47-14-10-13-31(47)37(53)44-29(34(50)41-23(7)33(49)42-27)17-24-18-40-26-12-9-8-11-25(24)26/h8-9,11-12,18,20-23,27-32,40,48H,10,13-17,19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)(H,44,53)(H,45,54)(H,46,52)/t23-,27-,28-,29-,30-,31-,32-/m0/s1 |
| InChI Key | WFQBWZPTVRKYLS-HVEPFCGMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H58N8O8 |
| Molecular Weight | 766.90 g/mol |
| Exact Mass | 766.43776084 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 3.40 |
| CHEMBL447891 |
| 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 | 99.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.83% | 91.11% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.94% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.36% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.26% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.01% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.68% | 94.75% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.68% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.83% | 92.97% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 93.42% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.36% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.82% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.21% | 97.25% |
| CHEMBL1949 | P62937 | Cyclophilin A | 90.86% | 98.57% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 89.19% | 92.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.75% | 95.89% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.92% | 95.51% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.76% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.58% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.56% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.48% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.12% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.84% | 97.05% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.50% | 95.83% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.68% | 91.76% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.43% | 91.43% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.74% | 82.38% |
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.
| Jatropha integerrima |
| PubChem | 16059804 |
| LOTUS | LTS0203732 |
| wikiData | Q105304123 |