(9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
| Internal ID | 975b7681-dd32-4098-9be2-5fb94d43f42f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione |
| SMILES (Canonical) | CC(=C)C1CC2=C(C(=O)C1)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(C(=O)C1)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O |
| InChI | InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3/t11-/m0/s1 |
| InChI Key | XCESLDIMJGQRPW-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9s-6-hydroxy-33-dimethyl-9-prop-1-en-2-yl-910-dihydro-8h-pyrano23-cxanthene-711-dione.jpg "2D Structure of (9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione")
| 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 | 99.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.95% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.43% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.24% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.72% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.64% | 91.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.43% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.74% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.94% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.81% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.35% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.32% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.61% | 96.77% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.58% | 85.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.56% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
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 elasticus |
| Artocarpus scortechinii |
| PubChem | 154496196 |
| LOTUS | LTS0246094 |
| wikiData | Q105324996 |