| Phytochemical Name : Chelerythrine hydroxide |
| PCNDIDC0104 |
| Pubchem CID : 5351594 |
| Molecular formula: C21H19NO5 |
| Canonical SMILES : C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-] |
Synonymes : Chelerythrine hydroxide|Helleritrine hydroxide|Toddalin hydroxide|Chelerythrinium hydroxide|Toddaline hydroxide|478-03-5|UNII-65ML87R6OI|65ML87R6OI|Chelerythrine aurichloride|NSC 76023|NSC76023|NSC-76023|(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide|C21H18NO4.HO|1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;hydroxide|C21-H18-N-O4.H-O|SCHEMBL288916|CHEMBL1971693|DTXSID60963940|Q27263891|[1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, hydroxide|1,2-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide|(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 1,2-DIMETHOXY-12-METHYL-, HYDROXIDE (1:1) |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -6.550 |
| Log Po/w (XLOGP3) : 4.100 |
| Log Po/w (WLOGP) : 3.540 |
| Log Po/w (MLOGP) : 1.720 |
| Log Po/w (SILICOS-IT) : 4.080 |
| Consensus Log Po/w : 1.380 |