| Phytochemical Name : Chelidonine |
| PCNDIDC0106 |
| Pubchem CID : 197810 |
| Molecular formula: C20H19NO5 |
| Canonical SMILES : CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 |
Synonymes : CHELIDONINE|476-32-4|Stylophorin|Chelidonin|(+)-Chelidonine|Khelidonin|Helidonine|Chelidoniny|Stylophorine|CHEBI:31389|UNII-8K7EK8446J|Chelidonin [German]|Chelidoniny [Polish]|8K7EK8446J|EINECS 207-504-1|4UDG3LY0GT|CHELIDONINE (+)-FORM|DTXSID10878474|(+/-)-chelidonine|(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL-, (5BR,6S,12BS)-|(5bR,6S,12bS)-13-Methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol|Chelidonine (+-)-|UNII-4UDG3LY0GT|NSC646661|(1)-Chelidonine|(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL-, (5BR,6S,12BS)-REL-|[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-|[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-rel-|EINECS 243-662-8|Prestwick0_000587|Prestwick1_000587|Prestwick2_000587|Prestwick3_000587|CHELIDONINE [INCI]|BSPBio_000434|CHELIDONINE [WHO-DD]|DIPHYLLINE (ALKALOID)|SCHEMBL563820|SPBio_002653|BPBio1_000478|CHEMBL496867|MEGxp0_001421|Chelidonine ((+)-Chelidonine)|ACon1_000007|CHELIDONINE, (+/-)-|DTXCID501016520|HMS3886N18|HY-N2369|CHELIDONINE (+)-FORM [MI]|Chelidonine, >=97.0% (HPLC)|BDBM50480259|MFCD00069660|s9154|AKOS016010202|CCG-208430|CHELIDONINE (+/-)-FORM [MI]|NCGC00167959-01|NCGC00167959-02|NCGC00167959-03|NCGC00167959-05|NCGC00167959-12|AC-34033|MS-25483|CS-0022550|SR-05000002251|Q-100506|Q1069066|SR-05000002251-2|BRD-K32828673-001-01-5|BRD-K32828673-002-03-9|(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol|(5BR-(5B.ALPHA.,6.BETA.,12B.ALPHA.))-5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL|(5BR-(5Balpha,6beta,12Balpha))-5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL|5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.200 |
| Log Po/w (XLOGP3) : 2.160 |
| Log Po/w (WLOGP) : 1.470 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 2.470 |
| Consensus Log Po/w : 2.260 |