Prochaetoglobosin II
| Internal ID | 4330c098-3f09-43df-9fa1-ba944a9887a0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| 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-2,5,20-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36N2O3/c1-19-8-7-9-24-16-21(3)22(4)30-28(17-23-18-33-27-11-6-5-10-26(23)27)34-31(37)32(24,30)29(36)13-12-25(35)15-20(2)14-19/h5-7,9-14,16,18-19,22,24,28,30,33H,8,15,17H2,1-4H3,(H,34,37)/b9-7+,13-12-,20-14+/t19-,22+,24-,28-,30-,32+/m0/s1 |
| InChI Key | ZWMGAOFPDWVLLV-WVXRVHBYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C32H36N2O3 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.27259301 g/mol |
| Topological Polar Surface Area (TPSA) | 79.00 Ų |
| XlogP | 4.80 |
| CHEBI:68740 |
| (3S,3aR,4S,6aS,7E,10S,11E,15Z,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione |
| (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-2,5,20-trione |
| (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-2,5,20-trione |
| (3S,3aR,4S,6aS,7E,10S,11E,15Z,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca(d)isoindole-1,14,17-trione |
| RefChem:176121 |
| Q27137159 |
| 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 | 99.31% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.68% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.16% | 88.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.08% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.12% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.88% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.06% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.66% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.51% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.06% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.90% | 97.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.85% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.61% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.33% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.67% | 89.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 85.75% | 97.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.32% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.80% | 90.08% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.19% | 96.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.10% | 92.98% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.98% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.06% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 71768072 |
| LOTUS | LTS0096300 |
| wikiData | Q27137159 |