Cimifugin beta-D-glucopyranoside
Internal ID | b87dcd18-cddd-4d5e-9d14-354078b85942 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones > Furanochromones |
IUPAC Name | 2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one |
SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3 |
InChI Key | XIUVHOSBSDYXRG-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H28O11 |
Molecular Weight | 468.40 g/mol |
Exact Mass | 468.16316171 g/mol |
Topological Polar Surface Area (TPSA) | 164.00 Ų |
XlogP | -0.90 |
HMS3347E19 |
FT-0686681 |
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 | 99.39% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.10% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.20% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.85% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 92.43% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.68% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.70% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.04% | 97.25% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.41% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.64% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.28% | 86.92% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.47% | 96.77% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.77% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.95% | 95.89% |
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.
Angelica japonica |
Diplolophium buchananii |
Eranthis hyemalis |
PubChem | 14034911 |
LOTUS | LTS0213579 |
wikiData | Q105328754 |