22-Hydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7(12),14,23-pentaene-2,17,25-trione
| Internal ID | a4f4bb65-51bb-420d-83f8-a88dd38147f2 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 22-hydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7(12),14,23-pentaene-2,17,25-trione |
| SMILES (Canonical) | CC1(CC2=C(CC3=CC4=C(C=C32)NC(=O)C5(C(CCC6(C5(CCC7(C6=CC(=O)C(O7)C(C)(C)O)OC)C)O)CC4=O)C)C(O1)(C)C)C |
| SMILES (Isomeric) | CC1(CC2=C(CC3=CC4=C(C=C32)NC(=O)C5(C(CCC6(C5(CCC7(C6=CC(=O)C(O7)C(C)(C)O)OC)C)O)CC4=O)C)C(O1)(C)C)C |
| InChI | InChI=1S/C38H49NO8/c1-32(2)19-24-22-17-26-23(14-20(22)15-25(24)34(5,6)47-32)27(40)16-21-10-11-37(44)29-18-28(41)30(33(3,4)43)46-38(29,45-9)13-12-35(37,7)36(21,8)31(42)39-26/h14,17-18,21,30,43-44H,10-13,15-16,19H2,1-9H3,(H,39,42) |
| InChI Key | DZQLXOZYLFXGEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H49NO8 |
| Molecular Weight | 647.80 g/mol |
| Exact Mass | 647.34581752 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 22-Hydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7(12),14,23-pentaene-2,17,25-trione](https://plantaedb.com/storage/docs/compounds/2023/11/932b7530-86f7-11ee-9a1b-1524767244b2.jpg "2D Structure of 22-Hydroxy-26-(2-hydroxypropan-2-yl)-28-methoxy-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7(12),14,23-pentaene-2,17,25-trione")
| 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 | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.17% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.62% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.20% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.78% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.33% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.22% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.68% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.58% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.33% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 92.15% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.92% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.00% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.31% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.07% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.18% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.07% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.92% | 94.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.80% | 89.05% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.79% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.94% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.83% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.69% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.12% | 92.88% |
| CHEMBL3232685 | O00257 | E3 SUMO-protein ligase CBX4 | 84.80% | 93.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.78% | 97.28% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.25% | 98.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.52% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.44% | 92.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.20% | 97.79% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.89% | 86.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.48% | 95.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.43% | 93.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.00% | 96.43% |
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 | 162938784 |
| LOTUS | LTS0150006 |
| wikiData | Q104167605 |