Cytoglobosin Ab
| Internal ID | 2ada802c-47fe-4e02-b957-206d86a38988 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1R,4S,8S,9S,11E,13R,14S,16S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11-diene-2,5,20-trione |
| SMILES (Canonical) | CC1CC=CC2C(C(=C)C(C3C2(C(=O)CC4C1C(=C(C4=O)O)C)C(=O)NC3CC5=CNC6=CC=CC=C65)C)O |
| SMILES (Isomeric) | C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]1C(=C(C4=O)O)C)C(=O)N[C@H]3CC5=CNC6=CC=CC=C65)C)O |
| InChI | InChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21-,22-,24-,26+,27-,28+,32+/m0/s1 |
| InChI Key | VROGJHMZKMLYET-PYQCMCISSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H36N2O5 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.26242225 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 3.10 |
| 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 | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.47% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.63% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.77% | 94.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 91.85% | 96.39% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.68% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.59% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.19% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.83% | 96.95% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.55% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.01% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.75% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.01% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.95% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.42% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.06% | 97.79% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.55% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.56% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.10% | 93.03% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.99% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.15% | 91.49% |
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 | 139591627 |
| LOTUS | LTS0199013 |
| wikiData | Q105291872 |