Juzirine
PubChem CID: 3085285
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| Compound Synonyms | Juzirine, 64069-53-0, 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol, Yuzirine, HYS6BR39QH, 1-((4-Hydroxyphenyl)methyl)-6-methoxy-7-isoquinolinol, DTXSID20214263, 7-Isoquinolinol, 1-((4-hydroxyphenyl)methyl)-6-methoxy-, 7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxyisoquinoline, 1-((4-HYDROXYPHENYL)METHYL)-6-METHOXY-ISOQUINOLIN-7-OL, 1-((4-hydroxyphenyl)methyl)-6-methoxyisoquinolin-7-ol, UNII-HYS6BR39QH, DTXCID20136754, CHEBI:179577, AKOS040752214, 1-(4-hydroxybenzyl)-6-methoxyisoquinolin-7-ol, 7-hydroxy-1-(4'-hydroxybenzyl)-6-methoxyisoquinoline |
|---|---|
| Topological Polar Surface Area | 62.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Alkaloid from the leaves of Zizyphus jujuba (Chinese date). Juzirine is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUCRLUHFLBPVRO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.371 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.857 |
| Synonyms | 1-((4-Hydroxyphenyl)methyl)-6-methoxy-7-isoquinolinol, 7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxyisoquinoline, 7-Isoquinolinol, 1-((4-hydroxyphenyl)methyl)-6-methoxy-, Juzirine, Yuzirine |
| Compound Name | Juzirine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4178377238095243 |
| Inchi | InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients