1-(16-Hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-22-yl)-2-methylpropane-1,2-diol
| Internal ID | 30f6cf16-7832-4706-9652-e5907f3767d8 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 1-(16-hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-22-yl)-2-methylpropane-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H43NO7/c1-27(2,35)23(34)26-38-21-24(28(3,4)40-26)37-20-12-13-29(5)30(6)16(11-14-31(29,36)32(20)25(21)39-32)15-18-17-9-7-8-10-19(17)33-22(18)30/h7-10,16,20-21,23-26,33-36H,11-15H2,1-6H3 |
| InChI Key | NPOBYPOTVIAKCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H43NO7 |
| Molecular Weight | 553.70 g/mol |
| Exact Mass | 553.30395271 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1-(16-Hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-22-yl)-2-methylpropane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/478e4dc0-882c-11ee-a6e7-3bc663f14cfe.jpg "2D Structure of 1-(16-Hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-22-yl)-2-methylpropane-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.30% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.07% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.33% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.96% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.71% | 85.14% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.65% | 94.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.09% | 88.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.61% | 94.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.16% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.04% | 97.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.39% | 97.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.80% | 97.14% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.65% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.49% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.17% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.15% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.13% | 95.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.54% | 93.04% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 85.22% | 97.69% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.40% | 92.98% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.60% | 97.05% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.31% | 85.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.13% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.54% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.06% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.70% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.62% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.53% | 97.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.52% | 97.93% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.78% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.20% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 94.00% |
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 | 162815100 |
| LOTUS | LTS0011494 |
| wikiData | Q104179881 |