12-Dihydrodalbinol
| Internal ID | ab6bb660-9e25-42c9-8cea-23a72e6760c0 |
| 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-hexaene-12,13-diol |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3O)C=CC5=C4CC(O5)C(=C)CO)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3O)C=CC5=C4CC(O5)C(=C)CO)O)OC |
| InChI | InChI=1S/C23H24O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,22,24-26H,1,6,9-10H2,2-3H3 |
| InChI Key | NCYYYSSAGZJHHG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O8 |
| Molecular Weight | 428.40 g/mol |
| Exact Mass | 428.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.30 |
| CHEBI:191917 |
| LMPK12060042 |
| 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-hexaene-12,13-diol |
| 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 | 97.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.53% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.11% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.90% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.77% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.73% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.63% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.95% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.55% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.50% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.54% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.91% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.58% | 97.25% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 83.23% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.95% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.77% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.23% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.16% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.96% | 94.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.58% | 92.94% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 80.30% | 89.32% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.10% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 44257413 |
| LOTUS | LTS0074210 |
| wikiData | Q105177445 |