Nigrolineaxanthone N
| Internal ID | bc982cd9-db5a-44ed-b9ac-0d2f2f705a20 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1,3,5-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)CCC(C)(C)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)CCC(C)(C)O)O)O)C |
| InChI | InChI=1S/C23H26O6/c1-12(2)5-7-14-16(25)11-17-19(20(14)26)21(27)18-13(9-10-23(3,4)28)6-8-15(24)22(18)29-17/h5-6,8,11,24-26,28H,7,9-10H2,1-4H3 |
| InChI Key | ZPJQIAIELUCBCV-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H26O6 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.90 |
| CHEMBL408716 |
| 1,3,5-Trihydroxy-2-(3-methylbut-2-enyl)-8-(3-hydroxy-3-methylbutyl)xanthone |
| 1,3,5-Trihydroxy-8-(3-hydroxy-3-methyl-butyl)-2-(3-methyl-but-2-enyl)-xanthen-9-one |
| 1,3,5-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
| 9H-xanthen-9-one, 1,3,5-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methyl-2-butenyl)- |
| InChI=1/C23H26O6/c1-12(2)5-7-14-16(25)11-17-19(20(14)26)21(27)18-13(9-10-23(3,4)28)6-8-15(24)22(18)29-17/h5-6,8,11,24-26,28H,7,9-10H2,1-4H |
| 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 | 99.79% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.03% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.97% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.16% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.95% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.41% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.11% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.98% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.91% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.02% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.87% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.33% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.61% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.07% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.63% | 96.12% |
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.
| Garcinia nigrolineata |
| PubChem | 5323589 |
| LOTUS | LTS0082620 |
| wikiData | Q105380969 |