6-[1,5,8,8a-Tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-9-one
| Internal ID | 973d6513-e06a-4335-b04c-daffc511a495 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 6-[1,5,8,8a-tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H32O14/c1-11-7-17(32)29(40)24(37)18-15(43-26(29,9-31)22(11)35)5-3-13(20(18)33)14-4-6-16-19(21(14)34)25(38)30(41)27(44-16)10-42-28(30,39)8-12(2)23(27)36/h3-6,11-12,17,22-23,31-36,39-41H,7-10H2,1-2H3 |
| InChI Key | PABONIYDYSFJII-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H32O14 |
| Molecular Weight | 616.60 g/mol |
| Exact Mass | 616.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 244.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 6-[1,5,8,8a-Tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/8db051f0-85cb-11ee-ad9b-4bc6f07958a1.jpg "2D Structure of 6-[1,5,8,8a-Tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-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 | 99.22% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.44% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.30% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.86% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.29% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.90% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.70% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.66% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.53% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.17% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.79% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.14% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.93% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.92% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.52% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.78% | 97.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.20% | 90.24% |
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.
| There are no matching plants. |
| PubChem | 162910007 |
| LOTUS | LTS0216101 |
| wikiData | Q104194134 |