(2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
Internal ID | bd4ccfac-4c8f-4bf7-a280-add6d9be1bc0 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | (2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol |
SMILES (Canonical) | CC1=CCC(CC1)(C(C)C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O |
SMILES (Isomeric) | CC1=CC[C@@](CC1)(C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@H]([C@](CO3)(CO)O)O)O)O)O |
InChI | InChI=1S/C21H36O10/c1-11(2)21(6-4-12(3)5-7-21)31-18-16(25)15(24)14(23)13(30-18)8-28-19-17(26)20(27,9-22)10-29-19/h4,11,13-19,22-27H,5-10H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m1/s1 |
InChI Key | GYNSVXPOEUJXIG-XZPGJIQJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H36O10 |
Molecular Weight | 448.50 g/mol |
Exact Mass | 448.23084734 g/mol |
Topological Polar Surface Area (TPSA) | 158.00 Ų |
XlogP | -1.20 |
There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol 2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/999e2cb0-8792-11ee-b6ee-19159b800e8b.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.21% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 95.64% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.15% | 96.09% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.86% | 96.38% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.75% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.91% | 94.75% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.54% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.37% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.00% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.57% | 97.25% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.79% | 97.47% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.99% | 97.36% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.63% | 96.61% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.51% | 93.18% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.25% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.13% | 100.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.01% | 98.75% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.35% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 81.92% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.80% | 89.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.04% | 96.47% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.03% | 95.89% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.42% | 97.21% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.40% | 80.33% |
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.
Hemerocallis fulva |
PubChem | 11224676 |
LOTUS | LTS0209614 |
wikiData | Q105023959 |