| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 23 | Yes |
Popular Name: evodiamine evodiamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 518-17-2 , [518-17-2]
(13bS)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
(S)-14-Methyl-8,13,13b,14-tetrahydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one
14-Methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.82 | 8.66 | -11.91 | 1 | 4 | 0 | 39 | 303.365 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | A major component of the Chinese drug Wou-chou-yu (the dried fruit of Evodia rutaecarpa ). Also present in Araliopsis tabouensis (Rutaceae, Araliaceae) | ZereneX Building Blocks |
| Target | Cellular tumor antigen p53(P04637)&Caspase-3(P42574)&Steroidogenic acute regulatory protein, mitochondrial(P49675)&BH3-interacting domain death agonist(P55957)&Caspase-8(Q14790)&Caspase-9(P55211)&NADPH oxidase 4(Q9NPH5)&Cytochrome b-245 light chain(P13498 | Herbal Ingredients Targets |
| biological_use | Diuretic and diaphoretic agent | ZereneX Building Blocks |
| PUBCHEM_PATENT_ID | EP0355575A2; EP0355575B1; EP0852117A1; US5196164; US5298220; US5998421 | IBM Patent Data |
| mechanism | May interact with UCP1, which is a thermogenic protein that allows energy to be burned as heat | ZereneX Building Blocks |
| Target | Others | Selleck Chemicals |
