(11S)-7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
| Internal ID | 2aa2a0b8-c8df-4013-a23e-26246d6b284d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (11S)-7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one |
| SMILES (Canonical) | CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C |
| SMILES (Isomeric) | CC(=C[C@H]1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C |
| InChI | InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3/t18-/m0/s1 |
| InChI Key | UEENYRGPBCHSLB-SFHVURJKSA-N |
| Popularity | 0 references 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 |
| There are no found synonyms. |
![2D Structure of (11S)-7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/a5570bf0-86d0-11ee-aa82-77067d624121.jpg "2D Structure of (11S)-7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-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 | 99.06% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.53% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.49% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.11% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.74% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.65% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.93% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.79% | 90.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.73% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.39% | 94.42% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.23% | 93.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.93% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.46% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.37% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.15% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.95% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.68% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.35% | 97.33% |
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 chama |
| Artocarpus gomezianus |
| Artocarpus hypargyreus |
| Maclura tricuspidata |
| PubChem | 92448824 |
| LOTUS | LTS0043783 |
| wikiData | Q105270847 |