2-(1,2,10-Trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl)propan-2-ol
| Internal ID | dc59f0a4-9061-495f-bc2c-7d67a9349505 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 2-(1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl)propan-2-ol |
| SMILES (Canonical) | CC12CCC(OC1CCC3(C2CCC4C3(C5=C(C4)C6=CC=CC=C6N5)C)C)C(C)(C)O |
| SMILES (Isomeric) | CC12CCC(OC1CCC3(C2CCC4C3(C5=C(C4)C6=CC=CC=C6N5)C)C)C(C)(C)O |
| InChI | InChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3 |
| InChI Key | WLAIEIMDXUAGPY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H39NO2 |
| Molecular Weight | 421.60 g/mol |
| Exact Mass | 421.298079487 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 2-(1,2,10-Trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl)propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/c6c66d50-8593-11ee-a772-5ba8937c9302.jpg "2D Structure of 2-(1,2,10-Trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl)propan-2-ol")
| 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 | 99.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.74% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 94.39% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.96% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.14% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.52% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.31% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.79% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.35% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.46% | 92.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.27% | 85.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.22% | 94.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.67% | 94.23% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.48% | 95.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.06% | 80.96% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 83.89% | 97.69% |
| CHEMBL5028 | O14672 | ADAM10 | 83.00% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.62% | 93.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.29% | 96.39% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.30% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.87% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.39% | 98.75% |
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.
| Lolium perenne |
| PubChem | 14166138 |
| LOTUS | LTS0234565 |
| wikiData | Q105307846 |