8-Deoxyserratinine
PubChem CID: 176981
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| Compound Synonyms | 8-Deoxyserratinine, 18331-31-2, (4S,6R,9S)-8-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one, DTXSID50939710, 4-Hydroxy-2-methyldecahydro-5H,9H,12H-indeno[7a,1-h]indolizin-12-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC23CCCC2CCCC123 |
| Np Classifier Class | Quinolizidine alkaloids |
| Deep Smiles | C[C@H]CCO)[C@@][C@@H]C6)CC=O)C5CCCN5CCC%12 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Azaspirodecane derivatives |
| Scaffold Graph Node Level | OC1CC2CCCCC23CCCN2CCCC123 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,6R,9S)-8-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H25NO2 |
| Scaffold Graph Node Bond Level | O=C1CC2CCCCC23CCCN2CCCC123 |
| Inchi Key | CXCPHPDVYZHVON-PRAKJRAUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 8-deoxyserratinine |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CN(C)C, CO |
| Compound Name | 8-Deoxyserratinine |
| Exact Mass | 263.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H25NO2/c1-11-8-12-10-14(19)16-5-3-7-17(16)6-2-4-15(12,16)13(18)9-11/h11-13,18H,2-10H2,1H3/t11-,12+,13?,15-,16?/m1/s1 |
| Smiles | C[C@@H]1C[C@H]2CC(=O)C34[C@@]2(CCCN3CCC4)C(C1)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 Huperzia Serrata (Plant) Rel Props:Reference:ISBN:9788185042138