(15R)-11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
| Internal ID | 37fc8f00-b211-4795-b8ce-44a129ee46b2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (15R)-11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one |
| SMILES (Canonical) | CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C |
| SMILES (Isomeric) | CC(=C[C@@H]1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C |
| InChI | InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3/t19-/m1/s1 |
| InChI Key | GDQXJMLXEYSICD-LJQANCHMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H22O6 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.20 |
| BDBM50291300 |
![2D Structure of (15R)-11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/016820c0-86f5-11ee-af94-9b0183e152b6.jpg "2D Structure of (15R)-11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4409 | Q9Y233 | Phosphodiesterase 10A |
510 nM |
IC50 |
via Super-PRED
|
| CHEMBL4425 | Q01064 | Phosphodiesterase 1B |
300 nM |
IC50 |
via Super-PRED
|
| CHEMBL2652 | O00408 | Phosphodiesterase 2A |
590 nM |
IC50 |
via Super-PRED
|
| CHEMBL288 | Q08499 | Phosphodiesterase 4D |
5.4 nM 250 nM |
IC50 IC50 |
via Super-PRED
via Super-PRED |
| CHEMBL1827 | O76074 | Phosphodiesterase 5A |
410 nM |
IC50 |
via Super-PRED
|
| CHEMBL3535 | O76083 | Phosphodiesterase 9A |
350 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.43% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.92% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.74% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.70% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.30% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.41% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.19% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.29% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.07% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 81.79% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.77% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.02% | 100.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.87% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.28% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.14% | 98.35% |
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 |
| Artocarpus elasticus |
| PubChem | 92471958 |
| LOTUS | LTS0198668 |
| wikiData | Q105006890 |