8,19-Dihydroxy-6,17-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
| Internal ID | fed3f019-f400-4c8e-afc3-8607189ebc82 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 8,19-dihydroxy-6,17-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one |
| SMILES (Canonical) | CC1(C2CC3=C(C4=C2C(=C(C=C4O)OC)O1)OC5=CC(=CC(=C5C3=O)O)OC)C |
| SMILES (Isomeric) | CC1(C2CC3=C(C4=C2C(=C(C=C4O)OC)O1)OC5=CC(=CC(=C5C3=O)O)OC)C |
| InChI | InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-14(17)28-20(10)18-13(24)8-15(27-4)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3 |
| InChI Key | VAAPHFWVXAMOLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O7 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 8,19-Dihydroxy-6,17-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/d5491b10-859b-11ee-a750-41c07d06d146.jpg "2D Structure of 8,19-Dihydroxy-6,17-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-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 | 99.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.97% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.02% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.25% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.29% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.76% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.55% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.33% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.12% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.42% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.84% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.21% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.11% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.86% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.54% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.57% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.40% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.12% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.54% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.55% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.22% | 95.71% |
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 integer |
| PubChem | 44140347 |
| LOTUS | LTS0148728 |
| wikiData | Q105282581 |