Lycofawcine, deacetyl-
PubChem CID: 606029
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| Compound Synonyms | Lycofawcine, deacetyl-, Deacetyllycofawcine, O-Deacetyllycofawcine, XDHYWTNJXQMCMQ-UHFFFAOYSA-N, 15-Methyllycopodane-5,8,12-triol #, 1,9-Ethanobenzo[i]quinolizine, lycopodane-5,8,13-triol deriv., Lycopodane-5,8,12-triol, 15-methyl-, (5.beta.,8R,15S)- |
|---|---|
| Topological Polar Surface Area | 63.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-2,11,14-triol |
| Prediction Hob | 0.0 |
| Xlogp | 0.7 |
| Molecular Formula | C16H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XDHYWTNJXQMCMQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.563 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.152 |
| Compound Name | Lycofawcine, deacetyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0004551999999998 |
| Inchi | InChI=1S/C16H27NO3/c1-10-9-15-11-4-2-6-17(15)7-3-5-16(15,20)12(14(10)19)8-13(11)18/h10-14,18-20H,2-9H2,1H3 |
| Smiles | CC1CC23C4CCCN2CCCC3(C(C1O)CC4O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients