(1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
| Internal ID | f6eed1e7-53e1-4176-b14f-fe21a9a22755 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione |
| SMILES (Canonical) | CC1C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C)O |
| SMILES (Isomeric) | C[C@H]1C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)CC=C(C)C)O |
| InChI | InChI=1S/C32H36O6/c1-16(2)8-10-21-27-20(11-9-18(5)36-27)25(33)24-26(34)22-14-19-15-23-30(6,7)38-31(29(19)35,13-12-17(3)4)32(22,23)37-28(21)24/h8-9,11-12,14,18-19,23,33H,10,13,15H2,1-7H3/t18-,19+,23-,31-,32+/m0/s1 |
| InChI Key | BMXUVXIUASRKDN-FWEYBEAVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H36O6 |
| Molecular Weight | 516.60 g/mol |
| Exact Mass | 516.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3b1c8a80-838a-11ee-857d-ebacba2edce7.jpg "2D Structure of (1S,2S,8S,17S,19R)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione")
| 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 | 99.29% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.03% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.38% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.48% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.13% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.81% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.99% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.72% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.03% | 96.90% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.12% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.09% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.67% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.05% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.61% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.26% | 86.92% |
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 hanburyi |
| PubChem | 162970151 |
| LOTUS | LTS0129719 |
| wikiData | Q104938641 |