Platyphyllonol-5-xylopyranoside
| Internal ID | 42aaf0c8-00e4-4f93-b243-be0e5448796e |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (5S)-7-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC(CCC2=CC(=CC=C2)O)CC(=O)CCC3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](CCC2=CC(=CC=C2)O)CC(=O)CCC3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C24H30O8/c25-17-8-4-15(5-9-17)6-10-19(27)13-20(11-7-16-2-1-3-18(26)12-16)32-24-23(30)22(29)21(28)14-31-24/h1-5,8-9,12,20-26,28-30H,6-7,10-11,13-14H2/t20-,21+,22-,23+,24-/m0/s1 |
| InChI Key | FITQTWOHVZNKOP-QOXFPCGXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H30O8 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 1.20 |
| CHEMBL596919 |
| 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 | 98.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.73% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.42% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.64% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.17% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.72% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 90.65% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.54% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.13% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.47% | 94.73% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.52% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.47% | 95.56% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.26% | 93.04% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.87% | 95.50% |
| CHEMBL3761 | Q9HCG7 | Beta-glucosidase | 83.99% | 99.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.06% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.04% | 99.35% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.25% | 97.93% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.22% | 85.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.19% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.50% | 97.21% |
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.
| Alnus japonica |
| PubChem | 46230810 |
| LOTUS | LTS0053178 |
| wikiData | Q104995866 |