Okaramine J_120151
| Internal ID | 23e7daec-e87a-406d-86d8-9c00fed81f6b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1R,4S,7S,9S)-9-hydroxy-14-(3-methylbut-2-enyl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-8-13-23(20)33-27)16-24-29(38)36-25(28(37)34-24)17-32(39)22-12-9-10-19(15-14-18(2)3)26(22)35-30(32)36/h6-14,24-25,30,33,35,39H,1,15-17H2,2-5H3,(H,34,37)/t24-,25-,30+,32-/m0/s1 |
| InChI Key | IILJSEXGGMGEMF-ZCEPNZLZSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H36N4O3 |
| Molecular Weight | 524.70 g/mol |
| Exact Mass | 524.27874102 g/mol |
| Topological Polar Surface Area (TPSA) | 97.50 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.81% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.47% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.80% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.59% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 95.22% | 89.76% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.88% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.57% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.40% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.21% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.84% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 89.16% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.00% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.64% | 96.39% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.16% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.05% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.89% | 94.73% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 85.03% | 85.83% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.00% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.60% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.25% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.50% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.38% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.18% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
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 | 11455264 |
| LOTUS | LTS0136547 |
| wikiData | Q105113602 |