Csh 068
PubChem CID: 259676
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Csh 068, 13425-06-4, Csh-068, CSH068, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxyphenyl)methyl)-2-methyl-, 1934-93-6, 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline, (+)-O-Methylarmepavine, CHEMBL452500, 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinoline, DL-Armepavine, O-methyl-, 6,7-Dimethoxy-1-((4-Methoxyphenyl)Methyl)-2-Methyl-3,4-Dihydro-1H-Isoquinoline, NSC89826, SCHEMBL12807818, DTXSID60928534, CHEBI:172557, LZJWNVLTWYMMDJ-UHFFFAOYSA-N, BDBM50478462, NSC-89826, 712-Oo'-dimethyl-N-methylcoclaurine, 7,12-O,O'-dimethyl-N-methylcoclaurine, SY355122, 7,12-O,O''''-dimethyl-N-methylcoclaurine, (R)-6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P43140, P27732 |
| Iupac Name | 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline |
| Prediction Hob | 1.0 |
| Class | Isoquinolines and derivatives |
| Xlogp | 3.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzylisoquinolines |
| Molecular Formula | C20H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LZJWNVLTWYMMDJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.852 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 3.209 |
| Synonyms | 712-Oo'-dimethyl-N-methylcoclaurine, CSH-068, CSH 068, O-Methylarmepavine |
| Compound Name | Csh 068 |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.2410288000000005 |
| Inchi | InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzylisoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Debilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aristolochia Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cissampelos Pareira (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cyclea Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cyclea Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Stephania Discolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all