(11S)-7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one
| Internal ID | 0b3b1ce0-7a5d-42be-aa19-89cd9aea00d6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (11S)-7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)[C@@H](OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3/t22-/m0/s1 |
| InChI Key | NECAWZYXMSKYRB-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30O6 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (11S)-7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/4c88b690-8653-11ee-b807-951e3ea64da2.jpg "2D Structure of (11S)-7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-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 | 99.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.56% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.85% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.08% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.96% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.01% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.70% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.45% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.30% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.73% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.37% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.94% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.93% | 99.17% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.80% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.73% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.11% | 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 elasticus |
| Artocarpus lanceifolius |
| PubChem | 162848944 |
| LOTUS | LTS0058024 |
| wikiData | Q105177815 |