(6Z,8S,8aS)-8-methyl-6-[(2S)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID: 163079054
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6Z,8S,8aS)-8-methyl-6-[(2S)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H27NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZQWCTWAOPTYJIS-AUQWCNHSSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.028 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.474 |
| Compound Name | (6Z,8S,8aS)-8-methyl-6-[(2S)-2-methylpentylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 237.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 237.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8525993999999995 |
| Inchi | InChI=1S/C15H27NO/c1-4-6-12(2)9-13-10-15(3,17)14-7-5-8-16(14)11-13/h9,12,14,17H,4-8,10-11H2,1-3H3/b13-9-/t12-,14-,15-/m0/s1 |
| Smiles | CCC[C@H](C)/C=C\1/C[C@]([C@@H]2CCCN2C1)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blumea Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brachystemma Calycinum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crotalaria Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients