Precatorin II
Internal ID | a18db94a-5922-4862-a9f4-a2147678603c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | 6-[(2S,4S,5S)-3-[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one |
SMILES (Canonical) | COC1=C(C(=C2C(=O)C=C(OC2=C1OC)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O |
SMILES (Isomeric) | COC1=C(C(=C2C(=O)C=C(OC2=C1OC)C3=CC=C(C=C3)O)O)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O[C@H]5[C@H](C(CO5)(CO)O)O |
InChI | InChI=1S/C28H32O15/c1-38-21-17(19(34)16-13(32)7-14(41-22(16)25(21)39-2)11-3-5-12(31)6-4-11)23-24(20(35)18(33)15(8-29)42-23)43-27-26(36)28(37,9-30)10-40-27/h3-7,15,18,20,23-24,26-27,29-31,33-37H,8-10H2,1-2H3/t15?,18-,20+,23+,24?,26-,27+,28?/m1/s1 |
InChI Key | WRJOTXXNFMIKBB-GNHYJMBWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H32O15 |
Molecular Weight | 608.50 g/mol |
Exact Mass | 608.17412031 g/mol |
Topological Polar Surface Area (TPSA) | 234.00 Ų |
XlogP | -0.70 |
LMPK12111339 |
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 | 99.69% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.36% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.02% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.96% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.33% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.47% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.35% | 97.09% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.13% | 83.57% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.26% | 86.92% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.71% | 95.93% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.40% | 97.14% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.27% | 97.28% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.59% | 95.83% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.04% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.96% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.65% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.44% | 94.73% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.34% | 99.15% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.29% | 96.69% |
CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.69% | 82.50% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.52% | 95.53% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 80.39% | 98.35% |
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.
Abrus precatorius |
PubChem | 44258566 |
LOTUS | LTS0206356 |
wikiData | Q105311347 |