(5R)-1,4,8,10-tetrahydroxy-3-methoxy-11-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one
| Internal ID | 0c60344b-9568-4f63-bb86-51dc6b2ccbbc |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (5R)-1,4,8,10-tetrahydroxy-3-methoxy-11-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C(C(C3)C(=C)C)C(=C(C=C4O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C4=C([C@H](C3)C(=C)C)C(=C(C=C4O)OC)O)C |
| InChI | InChI=1S/C26H26O7/c1-11(2)6-7-13-16(27)9-17(28)22-23(30)15-8-14(12(3)4)20-21(26(15)33-25(13)22)18(29)10-19(32-5)24(20)31/h6,9-10,14,27-29,31H,3,7-8H2,1-2,4-5H3/t14-/m1/s1 |
| InChI Key | JLQITDSOPAUITO-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O7 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (5R)-1,4,8,10-tetrahydroxy-3-methoxy-11-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/d916ed10-876c-11ee-b06a-f9d490826d1d.jpg "2D Structure of (5R)-1,4,8,10-tetrahydroxy-3-methoxy-11-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]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 | 99.91% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.40% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.99% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.47% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.90% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.61% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.14% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.76% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.54% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.38% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.64% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.30% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.92% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.34% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.83% | 98.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.91% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.60% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.09% | 96.95% |
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 |
| PubChem | 162973641 |
| LOTUS | LTS0275703 |
| wikiData | Q105131013 |