(2R)-5,10-dihydroxy-2-methyl-12-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one
| Internal ID | b6970c8d-bf66-48e4-87d8-273cc8b3f429 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | (2R)-5,10-dihydroxy-2-methyl-12-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H30O5/c1-16(2)8-7-14-28(5)15-13-19-24(31)22-23(30)18-9-6-10-21(29)26(18)32-27(22)20(25(19)33-28)12-11-17(3)4/h6,8-11,13,15,29,31H,7,12,14H2,1-5H3/t28-/m1/s1 |
| InChI Key | AMYKFWVMWWIKSB-MUUNZHRXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H30O5 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of (2R)-5,10-dihydroxy-2-methyl-12-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/44164bd0-85b9-11ee-8cf3-69fc8ab420d3.jpg "2D Structure of (2R)-5,10-dihydroxy-2-methyl-12-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)pyrano[3,2-b]xanthen-6-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 | 99.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.73% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.20% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.83% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.00% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.50% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.46% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.75% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.09% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.17% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.36% | 83.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.71% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.17% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.09% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.28% | 83.57% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.20% | 96.37% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.75% | 96.39% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.71% | 99.15% |
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.
| Cratoxylum formosum |
| PubChem | 162994034 |
| LOTUS | LTS0074784 |
| wikiData | Q104915016 |