Millettone
| Internal ID | 90fdd35e-eaec-4bde-971b-8a7bb54ffba4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (1S,14S)-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3(12),4(9),5,10,15,17(21),22-heptaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC6=C(C=C5C4C3=O)OCO6)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC6=C(C=C5[C@@H]4C3=O)OCO6)C |
| InChI | InChI=1S/C22H18O6/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/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1 |
| InChI Key | TXNSUHKZCOMFPN-MOPGFXCFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O6 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.60 |
| 50376-38-0 |
| (1S,14S)-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3(12),4(9),5,10,15,17(21),22-heptaen-13-one |
| CHEBI:6937 |
| SCHEMBL4742959 |
| DTXSID80198434 |
| LMPK12060020 |
| Q27107367 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.44% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.35% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.11% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.34% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.09% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.46% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.38% | 80.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.61% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.92% | 97.25% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.70% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.38% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.37% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.78% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.76% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.35% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.53% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.21% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
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 dura |
| Piscidia piscipula |
| PubChem | 442810 |
| LOTUS | LTS0138649 |
| wikiData | Q27107367 |