artonin F
| Internal ID | 714914da-dfa2-4344-862d-8d559e405b53 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-enyl)-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C5=C6C(C4)C(OC6=C(C=C5O)O)(C)C)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(O3)C5=C6C(C4)C(OC6=C(C=C5O)O)(C)C)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C30H30O7/c1-13(2)7-8-14-23(33)22-24(34)16-11-17-20-21(18(31)12-19(32)28(20)37-30(17,5)6)27(16)35-26(22)15-9-10-29(3,4)36-25(14)15/h7,9-10,12,17,31-33H,8,11H2,1-6H3 |
| InChI Key | GKWNQOINHKVKOT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30O7 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.00 |
| CHEBI:175847 |
| DTXSID801102544 |
| LMPK12111518 |
| 12,21,23-trihydroxy-8,8,18,18-tetramethyl-11-(3-methylbut-2-enyl)-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4,6,10,12,20,22-octaen-14-one |
| 129683-94-9 |
| 5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-9-(3-methyl-2-buten-1-yl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-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 | 99.95% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.33% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.89% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.04% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.31% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.50% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.16% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 89.41% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.65% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.29% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.50% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.45% | 80.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.11% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.98% | 85.30% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.56% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.29% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.28% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.49% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.29% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.91% | 96.90% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.69% | 85.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.43% | 92.62% |
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 rigidus |
| Artocarpus styracifolius |
| PubChem | 14680593 |
| LOTUS | LTS0105604 |
| wikiData | Q105010411 |