| Phytochemical Name : Riddelline |
| PCNDIDR0030 |
| Pubchem CID : 5281744 |
| Molecular formula: C18H23NO6 |
| Canonical SMILES : CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O |
Synonymes : Riddelline|Riddelliine|23246-96-0|Riddeliin|Riddeliine|Riddeline|CCRIS 4712|HSDB 7147|13,19-Didehydro-12,18-dihydroxysenecionan-11,16-dione|18-Hydroxyseneciphylline|UNII-81YO8GX9J8|81YO8GX9J8|Senecionan-11,16-dione, 13,19-didehydro-12,18-dihydroxy-|(15Z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione|[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene-, (3Z,6S,14aR,14bR)-|(6S,9a1R,14aR,Z)-3-ethylidene-6-hydroxy-6-(hydroxymethyl)-5-methylene-3,4,5,6,9,9a1,11,13,14,14a-decahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione|(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene-, (3Z,6S,14aR,14bR)-|RIDDELLINE [HSDB]|DTXSID4026006|SCHEMBL20771236|CHEBI:63924|AKOS040762283|CS-T-61150|LS-2126|HY-122099|CS-0081774|Q3935171|(Z)-ethylidene-hydroxy-(hydroxymethyl)-methylene-[?]dione|trans-15-ethylidene-12beta-hydroxy-12alpha-hydroxymethyl-13-methylenesenec-1-enine|(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3- ETHYLIDENE-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-6-HYDROXY-6- (HYDROXYMETHYL)-5-METHYLENE-, (3Z,6S,14AR,14BR)-|(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3-ETHYLIDENE-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-6-HYDROXY-6-(HYDROXYMETHYL)-5-METHYLENE-, (6S-(3Z,6R*,14AS*,14BS*))-|(1R,4Z,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione|stereoisomer of 3-ethylidene-3,4,5,6,9,11,13,14,14alpha,14beta-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene(1,6)dioxacyclododecino[2,3,4-gh] -pyrrolizidine-2,7-dione|stereoisomer of 3-ethylidene-3,4,5,6,9,11,13,14,14alpha,14beta-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene(1,6)dioxacyclododecino[2,3,4-gh]-pyrrolizidine-2,7-dione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.480 |
| Log Po/w (XLOGP3) : 0.190 |
| Log Po/w (WLOGP) : -0.300 |
| Log Po/w (MLOGP) : 0.540 |
| Log Po/w (SILICOS-IT) : 1.120 |
| Consensus Log Po/w : 0.810 |

