N,N,-Dimethylhuperzine A
PubChem CID: 58451233
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| Compound Synonyms | N,N,-Dimethylhuperzine A, VSGZZLBLFBLCOE-WLRTZDKTSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C(C1)CC1CCCC2C1C |
| Np Classifier Class | Terpenoid alkaloids |
| Deep Smiles | C/C=CCC=CCC6NC)C))ccC8)[nH]c=O)cc6))))))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | CC1C2CCCC1C1CCC(O)NC1C2 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 592.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (13E)-1-(dimethylamino)-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H22N2O |
| Scaffold Graph Node Bond Level | C=C1C2C=CCC1c1ccc(=O)[nH]c1C2 |
| Inchi Key | VSGZZLBLFBLCOE-WLRTZDKTSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | n,n-dimethylhuperzine a |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CN(C)C, c=O, c[nH]c |
| Compound Name | N,N,-Dimethylhuperzine A |
| Exact Mass | 270.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H22N2O/c1-5-13-12-8-11(2)10-17(13,19(3)4)14-6-7-16(20)18-15(14)9-12/h5-8,12H,9-10H2,1-4H3,(H,18,20)/b13-5+ |
| Smiles | C/C=C/1\C2CC3=C(C1(CC(=C2)C)N(C)C)C=CC(=O)N3 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Reference:ISBN:9788185042145