(+/-)-Nuciferine
PubChem CID: 3108374
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| Compound Synonyms | (+/-)-NUCIFERINE, 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline, DTXSID40963862, 1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline, Oprea1_248738, Oprea1_725463, SCHEMBL634777, CHEMBL2414990, DTXCID701391590, HMS1648G06, BDBM50492967, AKOS021823272, CCG-202814, DB-050208, AB00091572-01 |
|---|---|
| Topological Polar Surface Area | 21.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P61169, P18901 |
| Iupac Name | 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ORJVQPIHKOARKV-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -2.491 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.02 |
| Compound Name | (+/-)-Nuciferine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 295.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.103904763636364 |
| Inchi | InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3 |
| Smiles | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all