1-Epilupinine
PubChem CID: 92767
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| Compound Synonyms | 1-Epilupinine, 486-71-5, (+)-Epilupinine, [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol, Epi-Lupinine, Epilupinine, 2H-Quinolizine-1-methanol, octahydro-, (1S-cis)-, Octahydro-2H-quinolizin-1-ylmethanol #, rac-(1S,9aR)-Octahydro-2H-quinolizin-1-ylmethanol, (1S-cis)-Octahydro-2H-quinolizine-1-methanol, SCHEMBL2633852, DTXSID901318170, [(1S,9aR)-octahydro-2H-quinolizin-1-yl]methanol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | OC[C@H]CCCN[C@@H]6CCCC6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Lupin alkaloids |
| Scaffold Graph Node Level | C1CCN2CCCCC2C1 |
| Classyfire Subclass | Lupinine-type alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H19NO |
| Scaffold Graph Node Bond Level | C1CCN2CCCCC2C1 |
| Inchi Key | HDVAWXXJVMJBAR-NXEZZACHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-epilupinine, epilupinine, epilupinine, (+)-, epilupinine,(+)- |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C, CO |
| Compound Name | 1-Epilupinine |
| Exact Mass | 169.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 169.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10-/m1/s1 |
| Smiles | C1CCN2CCC[C@@H]([C@H]2C1)CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Calpurnia Aurea (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Reference:ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Lupinus Micranthus (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Sophora Secundiflora (Plant) Rel Props:Reference:ISBN:9788185042145 - 5. Outgoing r'ship
FOUND_INto/from Thermopsis Barbata (Plant) Rel Props:Reference:ISBN:9788185042114