A1D8J
Summary
| Name: | (1~{S})-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Synonyms: | Coclaurine |
| Formula: | C17 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 285.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | LVVKXRQZSRUVPY-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |
| SMILES | CACTVS | 3.385 | COc1cc2CCN[CH](Cc3ccc(O)cc3)c2cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)[C@@H](NCC2)Cc3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1O)C(NCC2)Cc3ccc(cc3)O |
