| Phytochemical Name : Coclaurine |
| PCNDIDC0213 |
| Pubchem CID : 160487 |
| Molecular formula: C17H19NO3 |
| Canonical SMILES : COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
Synonymes : Coclaurine|486-39-5|(S)-Coclaurine|(-)-Coclaurine|Coclaurin|Machiline|(1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|CHEMBL446211|UNII-CW1576313Y|CHEBI:15950|CW1576313Y|1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline|(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol|(1S)-1,2,3,4-TETRAHYDRO-1-((4-HYDROXYPHENYL)METHYL)-6-METHOXY-7-ISOQUINOLINOL|(1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol|COCLAURINE [MI]|D05KJH|SCHEMBL20683184|DTXSID60197561|HY-N3610|1,2,3,4-Tetrahydro-1-(p-hydroxybenzyl)-6-methoxy-7-isoquinolinol|BDBM50292463|AKOS032948470|CS-0023935|C06161|E80611|Q15633989 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.550 |
| Log Po/w (XLOGP3) : 2.580 |
| Log Po/w (WLOGP) : 1.830 |
| Log Po/w (MLOGP) : 1.840 |
| Log Po/w (SILICOS-IT) : 2.940 |
| Consensus Log Po/w : 2.350 |