Dihydrolycopodine (5-OH)
PubChem CID: 21581107
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| Compound Synonyms | Dihydrolycopodine (5-OH), NS00094257 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,10S,11R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H27NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICWQJNDZXVMLCK-JXEZDRHFSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.69 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.36 |
| Compound Name | Dihydrolycopodine (5-OH) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 249.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2006675999999996 |
| Inchi | InChI=1S/C16H27NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-15,18H,2-10H2,1H3/t11-,12+,13-,14-,15-,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2C[C@H]([C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Chasmanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gaillardia Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients