(11R,13R)-9-hydroxy-6-(4-hydroxyphenyl)-14,14-dimethyl-4,12,15-trioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,5,8-tetraen-7-one
Internal ID | e115917b-68b9-4b4f-a9af-ddb78a1a8588 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
IUPAC Name | (11R,13R)-9-hydroxy-6-(4-hydroxyphenyl)-14,14-dimethyl-4,12,15-trioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),2,5,8-tetraen-7-one |
SMILES (Canonical) | CC1(C2C(O2)C3=C(O1)C=C4C(=C3O)C(=O)C(=CO4)C5=CC=C(C=C5)O)C |
SMILES (Isomeric) | CC1([C@H]2[C@H](O2)C3=C(O1)C=C4C(=C3O)C(=O)C(=CO4)C5=CC=C(C=C5)O)C |
InChI | InChI=1S/C20H16O6/c1-20(2)19-18(25-19)15-13(26-20)7-12-14(17(15)23)16(22)11(8-24-12)9-3-5-10(21)6-4-9/h3-8,18-19,21,23H,1-2H3/t18-,19-/m1/s1 |
InChI Key | VTCPKAZOZJPWSB-RTBURBONSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H16O6 |
Molecular Weight | 352.30 g/mol |
Exact Mass | 352.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 88.50 Ų |
XlogP | 2.90 |
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 | 99.01% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.19% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.46% | 89.00% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.66% | 83.82% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.54% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.75% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.32% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.28% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.71% | 94.00% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.96% | 85.11% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 84.62% | 98.35% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.10% | 99.23% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.85% | 91.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.88% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.67% | 99.15% |
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 fruticulosus |
Abrus precatorius |
Laburnum anagyroidis |
PubChem | 162932993 |
LOTUS | LTS0260525 |
wikiData | Q104961153 |