Glochidioboside
Internal ID | 9e173e50-583a-4a55-a8c9-b4bbd2b4e8c8 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | (2R,3R,4S,5S,6R)-2-[3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCOC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)CCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
InChI | InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(11-27)15-8-13(9-19(34-2)25(15)37-24)4-3-7-35-26-23(32)22(31)21(30)20(12-28)36-26/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24+,26+/m0/s1 |
InChI Key | DVWKMCPPEMUHBE-KUCLMONLSA-N |
Popularity | 8 references in papers |
Molecular Formula | C26H34O11 |
Molecular Weight | 522.50 g/mol |
Exact Mass | 522.21011190 g/mol |
Topological Polar Surface Area (TPSA) | 168.00 Ų |
XlogP | 0.50 |
MLS000563028 |
CHEMBL1704274 |
GZL-B-4451 |
HMS2268A12 |
SMR001215804 |
(2R,3R,4S,5S,6R)-2-[3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
![2D Structure of Glochidioboside 2D Structure of Glochidioboside](https://plantaedb.com/storage/docs/compounds/2023/11/glochidioboside.jpg)
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.84% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.90% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.04% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.53% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.09% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.54% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.25% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.03% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.39% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.55% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.04% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.31% | 94.45% |
CHEMBL3194 | P02766 | Transthyretin | 80.93% | 90.71% |
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.
Afrocarpus gracilior |
Glochidion zeylanicum |
Litsea glutinosa |
PubChem | 24982202 |
LOTUS | LTS0073644 |
wikiData | Q104990393 |