Lycojapodine A
PubChem CID: 25258213
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| Compound Synonyms | Lycojapodine A, (-)-lycojapodine A, CHEBI:66603, (5aR,6S,8R,9aS)-8-methylhexahydro-9a,6-(epoxyethano)-1,5a-propano-1-benzazepine-5,11(2H)-dione, (1R,2S,6S,16R)-16-methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecane-4,11-dione, (1R,2S,6S,16R)-16-methyl-5-oxa-7-azatetracyclo(5.4.3.32,6.01,6)heptadecane-4,11-dione, Q27135218 |
|---|---|
| Topological Polar Surface Area | 46.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2S,6S,16R)-16-methyl-5-oxa-7-azatetracyclo[5.4.3.32,6.01,6]heptadecane-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C16H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZNUIODTYIUAMN-KNPMLCFXSA-N |
| Fcsp3 | 0.875 |
| Logs | -4.119 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.979 |
| Compound Name | Lycojapodine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 277.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.643256799999999 |
| Inchi | InChI=1S/C16H23NO3/c1-11-8-12-9-14(19)20-16(10-11)15(12)5-3-7-17(16)6-2-4-13(15)18/h11-12H,2-10H2,1H3/t11-,12+,15+,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)O[C@@]3(C1)[C@@]24CCCN3CCCC4=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