dl-Codamine
PubChem CID: 89421
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| Compound Synonyms | dl-Codamine, 5977-85-5, 1-(3,4-Dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, (+/-)-Codamine, Codamine, DL-, Codamine, (RS)-, Codamine DL-form [MI], Codamine, (+/-)-, NSC-127489, UNII-5D6TH19ZX4, (S)-Codamine, 5D6TH19ZX4, (.+-.)-Codamine, 1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinol, 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol, 7-Isoquinolinol, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (+)-Codamine, 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol, 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoq uinolin-7-ol, Kodamin, NSC127489, Codamine, (.+-.)-, SCHEMBL680513, DTXSID90871988, AKOS000277676, DS-017098, Q27261862, 7-Isoquinolinol,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, 7-Isoquinolinol,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methyl-, (.+-.)- |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Description | Minor constituent of opium. (S)-Codamine is found in opium poppy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Class | Isoquinolines and derivatives |
| Xlogp | 3.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzylisoquinolines |
| Molecular Formula | C20H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OKORHWXYDBSYNO-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (.+-.)-codamine, (+)-Codamine, Codamine, Codamine, (.+-.)-, DL-codamine, DL-Codamine |
| Compound Name | dl-Codamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 343.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 343.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.098622600000001 |
| Inchi | InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzylisoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all