Okaramine K_120152
| Internal ID | 76e06865-0a3f-4910-bac4-de9e2d4a79d9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1R,4Z,7S,9S)-9-hydroxy-14-(3-methylbut-2-enyl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC=C1)C3(CC4C(=O)NC(=CC5=C(NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N4C3N2)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC=C1)[C@]3(C[C@H]4C(=O)N/C(=C\C5=C(NC6=CC=CC=C65)C(C)(C)C=C)/C(=O)N4[C@H]3N2)O)C |
| InChI | InChI=1S/C32H34N4O3/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/h6-14,16,25,30,33,35,39H,1,15,17H2,2-5H3,(H,34,37)/b24-16-/t25-,30+,32-/m0/s1 |
| InChI Key | JSBSVMCRQHPARV-MFWIRICFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H34N4O3 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.26309096 g/mol |
| Topological Polar Surface Area (TPSA) | 97.50 Ų |
| XlogP | 5.80 |
| 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 | 99.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.40% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.34% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.28% | 88.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.04% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.81% | 85.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.03% | 92.97% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.00% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.67% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.57% | 90.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.26% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.70% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.38% | 94.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 88.52% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.66% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.11% | 94.73% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.88% | 96.39% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.25% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.16% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.97% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.92% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.99% | 97.05% |
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 | 100990551 |
| LOTUS | LTS0097507 |
| wikiData | Q105134244 |