Domesticine
(12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
Also Known As: Domesticine|Nordomesticine|D-DOMESTICINE|DOMESTICINE [MI]|(+)-DOMESTICINE|KST-1A5766|(s)-5,6,6a,7-tetrahydro-2-methoxy-6-methyl-4h-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol|1-HYDROXY-2-METHOXY-9,10-METHYLENEDIOXYAPORPHINE|2-methoxy-9,10-(methylenedioxy)-6-alpha-aporphin-1-ol|(12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol|(6aS)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol|(12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,16,18-hexaen-19-ol|(12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-19-ol|(6aS)-2-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-1-ol|(6aS)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-4H-benzo(de)(1,3)benzodioxolo(5,6-g)quinolin-1-ol|4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-1-OL, 5,6,6A,7-TETRAHYDRO-2-METHOXY-6-METHYL-, (6AS)-
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.1314 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Monoisotopic Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 5440-48-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)O)OC |
| InChIKey | ZMNSHBTYBQNBPV-ZDUSSCGKSA-N |
Product Overview
Domesticine (CAS 5440-48-2), with molecular formula C19H19NO4 and molecular weight 325.1314 g/mol. IUPAC: (12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol.