(8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one
| Internal ID | bae4ed2a-11ac-408c-a141-766b09a381a0 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (8S,8aR,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one |
| SMILES (Canonical) | CC1=CC2C(C(C3=C(C(=C4C(=C23)C(=O)C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C7=C6C(=O)C8=C(C=C(C=C8O7)O)O)O)O)C(C1)(C)C |
| SMILES (Isomeric) | CC1=C[C@@H]2[C@H]([C@H](C3=C(C(=C4C(=C23)C(=O)C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C7=C6C(=O)C8=C(C=C(C=C8O7)O)O)O)O)C(C1)(C)C |
| InChI | InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22-,28+/m0/s1 |
| InChI Key | KAPVRSRPLHVWCH-DABBQTFLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H28O12 |
| Molecular Weight | 652.60 g/mol |
| Exact Mass | 652.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/c6689530-8616-11ee-a691-5990a3421a8d.jpg "2D Structure of (8S,8Ar,12aR)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-8-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-8,8a,10,12a-tetrahydroindeno[1,2-a]xanthen-13-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 | 99.54% | 91.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 95.58% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.40% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.14% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.62% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.20% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.99% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.56% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.86% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.84% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.52% | 90.00% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 84.08% | 95.72% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.08% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.79% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 83.67% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.82% | 97.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.29% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.28% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.61% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.14% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.14% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.75% | 93.18% |
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 griffithii |
| Garcinia virgata |
| PubChem | 15884596 |
| LOTUS | LTS0052296 |
| wikiData | Q105137950 |