Norseychellanon
PubChem CID: 609798
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| Compound Synonyms | Norseychellanon, Norseychellanone, OJDLRKGCSPMGQW-UHFFFAOYSA-N, 1,6-Methanonaphthalen-5(1H)-one, octahydro-2,4a,8a-trimethyl-, (1S,2S,4aR,6R,8aS)-(-)-, 1,6-Methanonaphthalen-5(1H)-one, octahydro-2,4a,8a-trimethyl-, *1S-(1.alpha.,2.alpha.,4a.beta.,6.alp |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCC3C(CCCC13)C2 |
| Np Classifier Class | Rotundane sesquiterpenoids |
| Deep Smiles | CCCCCCC6CCC6=O))CC6)))))C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1C2CCC3C(CCCC13)C2 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H22O |
| Scaffold Graph Node Bond Level | O=C1C2CCC3C(CCCC13)C2 |
| Inchi Key | OJDLRKGCSPMGQW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | norseychelanone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Norseychellanon |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| 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/C14H22O/c1-9-4-6-14(3)12(15)10-5-7-13(14,2)11(9)8-10/h9-11H,4-8H2,1-3H3 |
| Smiles | CC1CCC2(C(=O)C3CCC2(C1C3)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172361792 - 2. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:ISBN:9788171360536