Communesin I
| Internal ID | 6706ce13-f22b-4d7e-88f8-8ff517dd8e3d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Alpha carbolines |
| IUPAC Name | (3S)-1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one |
| SMILES (Canonical) | CCCC(CC(=O)N1CCC23C1N4CCC25C(NC6=CC=CC=C36)N(C7=CC=CC(=C57)C4C8C(O8)(C)C)C)O |
| SMILES (Isomeric) | CCC[C@@H](CC(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4[C@@H]8C(O8)(C)C)C)O |
| InChI | InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3/t19-,26-,27+,28+,29+,31-,32-/m0/s1 |
| InChI Key | MDCQGUSSMLOSLN-RQIFQPJOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40N4O3 |
| Molecular Weight | 528.70 g/mol |
| Exact Mass | 528.31004115 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 4.00 |
| SCHEMBL19609073 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.04% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.87% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.93% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.87% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 88.69% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.53% | 97.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.96% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.43% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.39% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.28% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.18% | 99.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.17% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.01% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.99% | 82.69% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.64% | 88.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.11% | 94.08% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.11% | 90.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.36% | 98.33% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.33% | 85.83% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.21% | 98.05% |
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 | 132137808 |
| LOTUS | LTS0085884 |
| wikiData | Q75064036 |