Nornuciferine
PubChem CID: 624491
Connections displayed (default: 10).
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| Compound Synonyms | Nornuciferine, (-)-N-nornuciferine, CHEMBL36496, ACon1_001877, AKOS037514752, NCGC00180048-01 |
|---|---|
| Topological Polar Surface Area | 30.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob | 1.0 |
| Class | Aporphines |
| Target Id | NPT4163 |
| Xlogp | 3.0 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C18H19NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QQKAHDMMPBQDAC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.808 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.799 |
| Compound Name | Nornuciferine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 281.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.7400581428571433 |
| Inchi | InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3 |
| Smiles | COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aporphines |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Obovata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients