Demethylcorydalmine
PubChem CID: 14138277
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| Compound Synonyms | DEMETHYLCORYDALMINE, 2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-9,10-diol, 2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-9,10-diol, CHEMBL1209607, SCHEMBL12943247 |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-9,10-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SUHDGQSJNMIRRN-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.582 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.31 |
| Compound Name | Demethylcorydalmine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.739456 |
| Inchi | InChI=1S/C19H21NO4/c1-23-17-8-12-5-6-20-10-14-11(3-4-16(21)19(14)22)7-15(20)13(12)9-18(17)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3 |
| Smiles | COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all