2-[[8-Hydroxy-1,6-dimethyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | d804aff6-5129-4b31-a183-da25465e2fc4 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | 2-[[8-hydroxy-1,6-dimethyl-4-propan-2-yl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC1C(CC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)C(C)C)OC5C(C(C(C(O5)CO)O)O)O |
SMILES (Isomeric) | CC1C(CC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)C(C)C)OC5C(C(C(C(O5)CO)O)O)O |
InChI | InChI=1S/C32H50O17/c1-10(2)13-6-16(46-31-27(42)24(39)21(36)17(7-33)47-31)12(4)19-14(13)5-11(3)29(23(19)38)49-32-28(43)25(40)22(37)18(48-32)9-45-30-26(41)20(35)15(34)8-44-30/h5,10,12-13,15-18,20-22,24-28,30-43H,6-9H2,1-4H3 |
InChI Key | YHXAOIONEYKJAQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H50O17 |
Molecular Weight | 706.70 g/mol |
Exact Mass | 706.30480012 g/mol |
Topological Polar Surface Area (TPSA) | 278.00 Ų |
XlogP | -2.40 |
There are no found synonyms. |
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 | 99.47% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.33% | 98.95% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.98% | 89.62% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.29% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.83% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.25% | 89.00% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.02% | 93.18% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.28% | 97.25% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.23% | 90.71% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.80% | 95.93% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.28% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.97% | 83.57% |
CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 85.70% | 92.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.59% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.52% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.09% | 99.15% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.99% | 90.24% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.71% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.84% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 82.38% | 91.49% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.25% | 95.83% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.54% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.54% | 94.73% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.83% | 93.56% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.41% | 80.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.27% | 95.56% |
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.
Alangium premnifolium |
PubChem | 162859711 |
LOTUS | LTS0070031 |
wikiData | Q105348651 |