3,6,8-trihydroxy-2-methoxy-1-[[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]xanthen-9-one
| Internal ID | af99a71d-0cec-4ecb-82d4-343b5f8945b7 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 3,6,8-trihydroxy-2-methoxy-1-[[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]xanthen-9-one |
| SMILES (Canonical) | CC1(C2CCC(C1CC3=C(C(=CC4=C3C(=O)C5=C(C=C(C=C5O4)O)O)O)OC)(O2)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@H](O1)C([C@@H]2CC3=C(C(=CC4=C3C(=O)C5=C(C=C(C=C5O4)O)O)O)OC)(C)C |
| InChI | InChI=1S/C24H26O7/c1-23(2)17(24(3)6-5-18(23)31-24)9-12-19-16(10-14(27)22(12)29-4)30-15-8-11(25)7-13(26)20(15)21(19)28/h7-8,10,17-18,25-27H,5-6,9H2,1-4H3/t17-,18-,24+/m0/s1 |
| InChI Key | RCBJTBFVHREOHR-LLJLJFOGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H26O7 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 3,6,8-trihydroxy-2-methoxy-1-[[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/6cfbc7d0-86d3-11ee-b60b-33bb7e2afeb6.jpg "2D Structure of 3,6,8-trihydroxy-2-methoxy-1-[[(1R,2S,4S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]xanthen-9-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 | 99.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.94% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.60% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.98% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.45% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.61% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.36% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.97% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.36% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.04% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.85% | 96.12% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.67% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 84.69% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.92% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.44% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.42% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.44% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.40% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.99% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.35% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.79% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.58% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.14% | 91.07% |
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 parvifolia |
| PubChem | 10960889 |
| LOTUS | LTS0077516 |
| wikiData | Q105233490 |