| Phytochemical Name : Chelerythrine |
| PCNDIDC0103 |
| Pubchem CID : 2703 |
| Molecular formula: C21H18NO4+ |
| Canonical SMILES : C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
Synonymes : chelerythrine|34316-15-9|Toddalin|cheleritrine|broussonpapyrine|Toddaline|EINECS 251-930-0|[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-|UNII-E3B045W6X0|CHEBI:78373|1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium|E3B045W6X0|CHEMBL13045|1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium|1,2-Dimethoxy-12-Methyl[1,3]benzodioxolo[5,6-C]phenanthridin-12-Ium|C21H18NO4|1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium|1,2-Dimethoxy-12-methyl-[1,3]dioxolo-[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium|(1,3)BENZODIOXOLO(5,6-C)PHENANTHRIDINIUM, 1,2-DIMETHOXY-12-METHYL-|1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride|C21H18NO4.HO|1,2-DIMETHOXY-12-METHYL(1,3)DIOXOLO)4',5':4,5)BENZO(1,2-C)PHENANTHRIDINIUM|C21-H18-N-O4.H-O|NSC646662|Chelerytherine|SR-01000075750|1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-12-ium|CTI|Lopac-C-2932|CHELERYTHRINE [MI]|D0T9ZL|Lopac0_000241|BSPBio_001558|SCHEMBL288915|CHELERYTHRINE [WHO-DD]|GTPL5953|MEGxp0_001953|BDBM25524|DTXSID20861211|HMS1791N20|HMS1989N20|HMS3402N20|BCP02912|HY-N2359|CHELERYTHRINE(TODDALINE)(RG)|STL581484|AKOS028108433|CCG-204336|1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium|NCGC00015225-01|NCGC00015225-02|NCGC00015225-03|NCGC00015225-04|NCGC00015225-05|NCGC00015225-06|NCGC00015225-07|NCGC00162102-01|NCGC00162102-02|NCGC00162102-03|NCGC00162102-04|NCGC00162102-05|NCI60_003349|NCI60_041672|LS-174464|CS-0022541|FT-0686582|Q5089853|SR-01000075750-5|BRD-K87904882-001-02-3|1,2-Dimethoxy-12-methyl-12lambda~5~-[1,3]benzodioxolo[5,6-c]phenanthridine hydrochloride|17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-21-ium|17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-21-ium |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.220 |
| Log Po/w (XLOGP3) : 4.580 |
| Log Po/w (WLOGP) : 3.720 |
| Log Po/w (MLOGP) : 2.530 |
| Log Po/w (SILICOS-IT) : 4.080 |
| Consensus Log Po/w : 3.020 |

