7-Ethyl-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one
| Internal ID | 7c5910e5-d87f-4cc6-a195-400474163641 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes |
| IUPAC Name | 7-ethyl-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one |
| SMILES (Canonical) | CCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)CC(OC5=C4C=CC(=C5)O)C(C)(C)O)O)C |
| SMILES (Isomeric) | CCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)CC(OC5=C4C=CC(=C5)O)C(C)(C)O)O)C |
| InChI | InChI=1S/C26H26O7/c1-5-26(4)9-8-15-19(33-26)12-17(28)21-22(29)16-11-20(25(2,3)30)31-18-10-13(27)6-7-14(18)23(16)32-24(15)21/h6-10,12,20,27-28,30H,5,11H2,1-4H3 |
| InChI Key | SQUSRPSDGQAMRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O7 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 7-Ethyl-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/a7504e00-85a5-11ee-aa48-094703bcfc46.jpg "2D Structure of 7-Ethyl-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one")
| 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 | 99.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.47% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.26% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.40% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.40% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.32% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.94% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.34% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.59% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.03% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.07% | 92.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.65% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.45% | 90.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.32% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.55% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.55% | 85.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.80% | 95.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.74% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.38% | 99.17% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.35% | 96.37% |
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.
| Artocarpus altilis |
| PubChem | 11123222 |
| LOTUS | LTS0082875 |
| wikiData | Q105258612 |