Dehydromillettone
| Internal ID | 34649aad-7098-43e2-8773-a30054f018e4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-1(14),3(12),4(9),5,10,15,17(21),22-octaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC6=C(C=C5OC4)OCO6)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC6=C(C=C5OC4)OCO6)C |
| InChI | InChI=1S/C22H16O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8H,9-10H2,1-2H3 |
| InChI Key | JOEPOINDECTPQI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H16O6 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.50 |
| 6a,12a-Didehydromillettone |
| 43016-04-2 |
| LMPK12060067 |
| XD161695 |
| 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 | 99.34% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.11% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.56% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.63% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.71% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.52% | 80.96% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.87% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.51% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.33% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.91% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.04% | 96.21% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.37% | 92.51% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.98% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.12% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.22% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.39% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.66% | 93.40% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.43% | 96.67% |
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.
| Millettia usaramensis |
| Piscidia piscipula |
| PubChem | 7040274 |
| LOTUS | LTS0263891 |
| wikiData | Q105132298 |