(1S,2R,6E,9Z,19R,20R,27E)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaene
| Internal ID | f887a6a5-12a4-441d-9185-e8de5900ef2a |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines |
| IUPAC Name | (1S,2R,6E,9Z,19R,20R,27E)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H44N2/c1-2-4-7-11-15-20-31-22-18-28-27-23-26(17-13-9-5-3-1)29-30(28,25-31)19-14-10-6-8-12-16-21-32(29)24-27/h1-2,5-7,9-11,23,27-29H,3-4,8,12-22,24-25H2/b2-1-,9-5+,10-6+,11-7?/t27-,28+,29+,30+/m0/s1 |
| InChI Key | NPETZHSJMVTIAM-BWZJGEDVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H44N2 |
| Molecular Weight | 432.70 g/mol |
| Exact Mass | 432.350449412 g/mol |
| Topological Polar Surface Area (TPSA) | 6.50 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (1S,2R,6E,9Z,19R,20R,27E)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaene](https://plantaedb.com/storage/docs/compounds/2023/11/11fa9d00-8622-11ee-8b0f-2deeaeb81fc8.jpg "2D Structure of (1S,2R,6E,9Z,19R,20R,27E)-16,22-diazapentacyclo[14.14.1.13,20.01,19.02,22]dotriaconta-3(32),6,9,12,27-pentaene")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.79% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.20% | 94.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.00% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.88% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.10% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.87% | 91.11% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.79% | 93.67% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.19% | 95.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.59% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.99% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.77% | 100.00% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 83.72% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.84% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.13% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.50% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.41% | 93.99% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.32% | 91.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.10% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.94% | 93.04% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.74% | 99.18% |
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 | 163195200 |
| LOTUS | LTS0203673 |
| wikiData | Q105183003 |