| Phytochemical Name : Mitraphylline |
| PCNDIDM0134 |
| Pubchem CID : 94160 |
| Molecular formula: C21H24N2O4 |
| Canonical SMILES : CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
Synonymes : Mitraphylline|509-80-8|Mitraphilline|Mitraphyllin|Rubradinine|Ajmalicine oxindole B|Rubradinin|UNII-1H9SRL2456|1H9SRL2456|EINECS 208-106-0|Methyl 19alpha-methyl-2-oxoformosanan-16-carboxylate|CHEBI:6957|DTXSID50198926|Methyl (19alpha)-19-methyl-2-oxoformosanan-16-carboxylate|SPIRO(3H-INDOLE-3,6'(4'AH)-(1H)PYRANO(3,4-F)INDOLIZINE)-4'-CARBOXYLIC ACID, 1,2,5',5'A,7',8',10',10'A-OCTAHYDRO-1'-METHYL-2-OXO-, METHYL ESTER, (1'S,3R,4'AS,5'AS,10'AR)-|methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate|MLS000728610|SEC-BUTYLMETHYLSULFIDE|CHEMBL2135897|DTXCID10121417|Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19.alpha.)-|HMS2267P09|HY-N6946|CCG-36401|NSC717700|AKOS040760558|NSC-717700|MS-25901|SMR000470795|CS-0081397|C09227|E87144|MITRAPHYLLINE (CONSTITUENT OF CAT'S CLAW)|Q10859059|MITRAPHYLLINE (CONSTITUENT OF CAT'S CLAW) [DSC]|Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19alpha)-|(1'S,3R,4a'S,5a'S,10a'R)-methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.290 |
| Log Po/w (XLOGP3) : 1.620 |
| Log Po/w (WLOGP) : 1.110 |
| Log Po/w (MLOGP) : 1.800 |
| Log Po/w (SILICOS-IT) : 1.670 |
| Consensus Log Po/w : 1.900 |