Neorautanin
| Internal ID | 0c4a43ac-a215-4739-ad40-707da5d10214 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 3-methoxy-7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,9,15,17(21),22-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H22O6/c1-22(2)5-4-11-15(28-22)8-18-19(20(11)23-3)21-13(9-24-18)12-6-16-17(26-10-25-16)7-14(12)27-21/h6-8,13,21H,4-5,9-10H2,1-3H3 |
| InChI Key | QQYQFSONAPRYKI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O6 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 3.80 |
| LMPK12070103 |
| 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 | 99.18% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.78% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.43% | 94.45% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 93.27% | 80.96% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.36% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.86% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.13% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.09% | 93.40% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.36% | 92.51% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.64% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.71% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.70% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.54% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.09% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.98% | 94.80% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.07% | 89.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.72% | 98.75% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.38% | 95.55% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.20% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.02% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.92% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.78% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 10937817 |
| LOTUS | LTS0081535 |
| wikiData | Q105226140 |