(2S,3S)-Sulfated pterosin C
| Internal ID | e5310e4d-30e5-4b3e-b6ed-0588c601dfdf |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | 2-[(1S,2S)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl hydrogen sulfate |
| SMILES (Canonical) | CC1C(C2=C(C1=O)C(=C(C(=C2)C)CCOS(=O)(=O)O)C)O |
| SMILES (Isomeric) | C[C@H]1[C@@H](C2=C(C1=O)C(=C(C(=C2)C)CCOS(=O)(=O)O)C)O |
| InChI | InChI=1S/C14H18O6S/c1-7-6-11-12(14(16)9(3)13(11)15)8(2)10(7)4-5-20-21(17,18)19/h6,9,13,15H,4-5H2,1-3H3,(H,17,18,19)/t9-,13-/m0/s1 |
| InChI Key | AJYKBYFVDNGNQI-ZANVPECISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18O6S |
| Molecular Weight | 314.36 g/mol |
| Exact Mass | 314.08240946 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 1.00 |
| CHEBI:69466 |
| CHEMBL1823116 |
| Q27137804 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.86% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.45% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.20% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.66% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.37% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.52% | 86.92% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.67% | 96.90% |
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.
| Acrostichum aureum |
| Anthocleista procera |
| Crepidiastrum denticulatum subsp. denticulatum |
| Pseudognaphalium oligandrum |
| Sideritis hirsuta |
| Wulfenia orientalis |
| PubChem | 54669844 |
| NPASS | NPC18785 |
| ChEMBL | CHEMBL1823116 |
| LOTUS | LTS0207058 |
| wikiData | Q27137804 |