A1A4H
Summary
| Name: | (R)-reticuline |
| Synonyms: | (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Formula: | C19 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 329.39 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-6-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydro-1~{H}-isoquinolin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccc(cc1O)CC1c2cc(O)c(cc2CCN1C)OC |
| InChI | InChI | 1.06 | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3 |
| InChIKey | InChI | 1.06 | BHLYRWXGMIUIHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
| SMILES | CACTVS | 3.385 | COc1ccc(C[CH]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)O)OC)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)O)OC)O)OC |
