(1R,2R,10S,11R,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol
PubChem CID: 21627857
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC3C4CCCC23C(C1)CC4 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | CCC[C@H]C[C@H][C@@H][C@@]C8)[C@@H]6CCCN6CCC%10))))))))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC3CCCC24C3CCCN4C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2R,10S,11R,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H27NO |
| Scaffold Graph Node Bond Level | C1CC2CCC3CCCC24C3CCCN4C1 |
| Inchi Key | ICWQJNDZXVMLCK-RVHJMHKMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | dihydrolycopodine |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO |
| Compound Name | (1R,2R,10S,11R,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol |
| Exact Mass | 249.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 249.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| 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+/m0/s1 |
| Smiles | CC1C[C@H]2C[C@H]([C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lycopodium Clavatum (Plant) Rel Props:Reference:ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Obscurum (Plant) Rel Props:Reference:ISBN:9788172362461