8'-Hydroxyrotenone
Internal ID | 0d8af1c6-63f8-4a5a-a5fe-4a3284d7b9a4 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
IUPAC Name | 6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one |
SMILES (Canonical) | COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)CO)OC |
SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)CO)OC |
InChI | InChI=1S/C23H22O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3 |
InChI Key | ZJMLELXRQUXRIU-UHFFFAOYSA-N |
Popularity | 7 references in papers |
Molecular Formula | C23H22O7 |
Molecular Weight | 410.40 g/mol |
Exact Mass | 410.13655304 g/mol |
Topological Polar Surface Area (TPSA) | 83.40 Ų |
XlogP | 2.80 |
SCHEMBL74860 |
CHEMBL1447847 |
DTXSID501105094 |
LMPK12060012 |
AKOS024278952 |
NCGC00017276-02 |
NCGC00142393-01 |
10475-72-6 |
2-(2-hydroxy-1-methyleneethyl)-8,9-dimethoxy-1,2-dihydrochromano[3,4-b]furano[ 2,3-h]chroman-6-one |
1,2,12,12a-Tetrahydro-2-[1-(hydroxymethyl)ethenyl]-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.77% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.99% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.16% | 85.14% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.27% | 83.82% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.98% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.46% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.97% | 94.80% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.08% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.93% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 84.77% | 98.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.06% | 100.00% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.75% | 82.67% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.63% | 92.62% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.42% | 97.25% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.37% | 92.94% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.18% | 94.00% |
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.
Amorpha fruticosa |
Berchemia discolor |
PubChem | 4342730 |
LOTUS | LTS0078940 |
wikiData | Q105377977 |