prochaetoglobosin I
| Internal ID | 522428bb-a8d3-46af-aea9-d04a092ec033 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (1S,3Z,7E,9S,11E,13S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,14-tetraene-2,20-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8-,20-16+/t21-,23+,25-,28-,30-,32+/m0/s1 |
| InChI Key | PAFRQNXHHHYHMF-YOJZVGJQSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H38N2O2 |
| Molecular Weight | 482.70 g/mol |
| Exact Mass | 482.293328459 g/mol |
| Topological Polar Surface Area (TPSA) | 62.00 Ų |
| XlogP | 6.00 |
| CHEBI:68739 |
| Q27137158 |
| (3S,3aR,4S,6aS,7E,10S,11E,15Z,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione |
| 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 | 99.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.94% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.28% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.64% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.66% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.08% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.34% | 97.79% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.17% | 97.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.12% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.75% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.54% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.41% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.70% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.33% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.03% | 92.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.87% | 90.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.62% | 96.39% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 84.86% | 96.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.41% | 95.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.16% | 90.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 82.04% | 92.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.70% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.32% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.59% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.53% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.51% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 71768071 |
| LOTUS | LTS0195601 |
| wikiData | Q27137158 |