7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6,10,13-trioxa-25-azaoctacyclo[14.10.0.02,12.05,11.09,11.012,14.018,26.019,24]hexacosa-18(26),19,21,23-tetraen-8-ol
| Internal ID | 50946950-ca9e-47bc-b204-e2e9faa4edb4 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10,13-trioxa-25-azaoctacyclo[14.10.0.02,12.05,11.09,11.012,14.018,26.019,24]hexacosa-18(26),19,21,23-tetraen-8-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO5/c1-23(2,30)21-19(29)22-26(33-22)17(31-21)9-10-24(3)25(4)13(12-18-27(24,26)32-18)11-15-14-7-5-6-8-16(14)28-20(15)25/h5-8,13,17-19,21-22,28-30H,9-12H2,1-4H3 |
| InChI Key | OAZQOSOFFNLFEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33NO5 |
| Molecular Weight | 451.60 g/mol |
| Exact Mass | 451.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 90.50 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6,10,13-trioxa-25-azaoctacyclo[14.10.0.02,12.05,11.09,11.012,14.018,26.019,24]hexacosa-18(26),19,21,23-tetraen-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e0e31c40-86ed-11ee-baa8-ad60f8ca2b8b.jpg "2D Structure of 7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6,10,13-trioxa-25-azaoctacyclo[14.10.0.02,12.05,11.09,11.012,14.018,26.019,24]hexacosa-18(26),19,21,23-tetraen-8-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 | 97.35% | 91.11% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 96.48% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.12% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.42% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.35% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.72% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.56% | 94.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.25% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.74% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.63% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.60% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.81% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.72% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.18% | 95.89% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 84.82% | 97.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.75% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.13% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.85% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.31% | 96.39% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.02% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.67% | 83.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.33% | 97.31% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.22% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.01% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 80.84% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.65% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 10456481 |
| LOTUS | LTS0069298 |
| wikiData | Q104193201 |