Lucidioline
PubChem CID: 609119
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| Compound Synonyms | Lucidioline, Lucidialine, 22594-91-8, (5beta,6alpha,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diol, Lycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5.beta.,6.alpha.,15R)-, Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5.beta.,6.alpha.,16R)-, 15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-ene-11,12-diol, 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol, Deacetyldehydrolycoclavine, 15-Methyllycopod-11-ene-5,6-diol #, 15-methyl-6-azatetracyclo[8.6.0.0?,?.0?,??]hexadec-2-ene-11,12-diol, Lycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5beta,6alpha,15R)-, Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5beta,6alpha,16R)- |
|---|---|
| Topological Polar Surface Area | 43.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGFDCVXTDHLBKG-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -2.538 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.62 |
| Compound Name | Lucidioline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0903622 |
| Inchi | InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3 |
| Smiles | CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all