Magnoflorine, chloride
PubChem CID: 23149
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| Compound Synonyms | Magnoflorine chloride, 6681-18-1, Escholine chloride, Magnoflorine, chloride, (+)-Magnoflorine (chloride), NSC150443, (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol, chloride, Thalictrine chloride, Corytuberine methochloride, NSC 150443, Magnoflorine-chloride, 6a-alpha-APORPHINIUM, 1,11-DIHYDROXY-2,10-DIMETHOXY-6-METHYL-, CHLORIDE, CHEMBL496685, HY-N0535R, HY-N0535, BDBM50480258, AKOS030530373, CCG-268382, NSC-150443, (+)-Magnoflorine (chloride) (Standard), AC-34442, MS-26159, CS-0009068, Magnoflorine (chloride), -Magnoflorine (chloride), Thalictrine (chloride) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCC3CCCC2C31 |
| Np Classifier Class | Isoquinoline alkaloids, Aporphine alkaloids |
| Deep Smiles | COccccc-ccO)cOC))ccc6[C@H]C%10)[N+]C)C)CC6))))))))))c6O.[Cl-] |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Aporphines |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1NCCC3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol, chloride |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H24ClNO4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CC1[NH2+]CCc3cccc-2c31 |
| Inchi Key | STVJLBTYWBXDBP-ZOWNYOTGSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | magnoflorine and its chloride, magnoflorine chloride, magnoflorinechloride |
| Esol Class | Moderately soluble |
| Functional Groups | C[N+](C)(C)C, [Cl-], cO, cOC |
| Compound Name | Magnoflorine, chloride |
| Exact Mass | 377.139 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 377.139 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 377.9 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H23NO4.ClH/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18, /h5-6,10,13H,7-9H2,1-4H3,(H-,22,23), 1H/t13-, /m0./s1 |
| Smiles | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.[Cl-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:ISBN:9788172363093