| Phytochemical Name : Wieland-gumlich aldehyde |
| PCNDIDW0006 |
| Pubchem CID : 160466 |
| Molecular formula: C19H22N2O2 |
| Canonical SMILES : C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)O |
Synonymes : Wieland-gumlich aldehyde|Caracurine|1-Deacetyldiaboline|Deacetyldiaboline|Caracurine VII|Desacetyldiaboline|466-85-3|Diaboline, 1-deacetyl-|(17r)-19,20-didehydro-17,18-epoxycuran-17-ol|UNII-X3Q09D1K96|X3Q09D1K96|(17R)-19,20-Didehydro-17-18-epoxycuran-17-ol|WGA|Curan-17-ol, 19,20-didehydro-17-18-epoxy-, (17R)-|(4S,12S,13R,14R,19R,21S)-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-ol|caracurin VII|SCHEMBL10480901|DTXSID90963615|CHEBI:141968|WIELAND-GUMLICH ALDEHYDE [MI]|AKOS040754421|LS-59549|Q27293522|CURAN-17-OL, 19,20-DIDEHYDRO-17,18-EPOXY-, (4S,17R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.390 |
| Log Po/w (XLOGP3) : 1.370 |
| Log Po/w (WLOGP) : 0.770 |
| Log Po/w (MLOGP) : 2.350 |
| Log Po/w (SILICOS-IT) : 1.300 |
| Consensus Log Po/w : 1.630 |