2H-Quinolizine-1-methanol, octahydro-, (1S-cis)-
PubChem CID: 6432467
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| Compound Synonyms | Epi-Lupinine, 2H-Quinolizine-1-methanol, octahydro-, (1S-cis)-, Octahydro-2H-quinolizin-1-ylmethanol #, HDVAWXXJVMJBAR-YHMJZVADSA-, HDVAWXXJVMJBAR-YHMJZVADSA-N, InChI=1/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10?/m1/s1 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C10H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDVAWXXJVMJBAR-YHMJZVADSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.693 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.975 |
| Compound Name | 2H-Quinolizine-1-methanol, octahydro-, (1S-cis)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 169.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 169.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6046615999999998 |
| 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](C2C1)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Scholaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anabasis Aphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Elephantopus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lupinus Luteus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thevetia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients