Armochaetoglasin F
| Internal ID | 21386873-2656-4c1d-97c0-65a869a08e31 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1S,4S,7E,9S,11E,13S,16S,17R,18S)-4-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,20-dione |
| SMILES (Canonical) | CC1CC=CC2C=C(C(C3C2(C(=O)CC(CCC(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C |
| SMILES (Isomeric) | C[C@H]\1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)C[C@H](CC/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C |
| InChI | InChI=1S/C32H40N2O3/c1-19-8-7-9-24-15-21(3)22(4)30-28(16-23-18-33-27-11-6-5-10-26(23)27)34-31(37)32(24,30)29(36)17-25(35)13-12-20(2)14-19/h5-7,9-11,14-15,18-19,22,24-25,28,30,33,35H,8,12-13,16-17H2,1-4H3,(H,34,37)/b9-7+,20-14+/t19-,22+,24-,25-,28-,30-,32+/m0/s1 |
| InChI Key | UNDXCFHARZFVCR-KMGKBHJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40N2O3 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.30389314 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 4.90 |
| 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 | 99.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.37% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.59% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.16% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.95% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.86% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.19% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.18% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.61% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.58% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.01% | 96.39% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.62% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.32% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.84% | 97.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.78% | 93.03% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.23% | 96.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.99% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.27% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.66% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.60% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.21% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.66% | 96.95% |
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 | 139591030 |
| LOTUS | LTS0217948 |
| wikiData | Q105275928 |