Articulone
PubChem CID: 131752013
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| Compound Synonyms | Articulone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CC3CCCC2(C1)C3 |
| Np Classifier Class | Patchoulane sesquiterpenoids |
| Deep Smiles | C=CC[C@]C=C5C))C[C@H]C5C)C))CC[C@H]7C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CC2CC3CCCC2(C1)C3 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H24 |
| Scaffold Graph Node Bond Level | C=C1C=C2CC3CCCC2(C1)C3 |
| Inchi Key | CASPQMNSCBDWDR-KFNAQCHYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | Articulone, Cyperenone, Isopatchoulenone, articulone |
| Esol Class | Soluble |
| Functional Groups | C=C1CCC(C)=C1C |
| Compound Name | Articulone |
| Kingdom | Organic compounds |
| Exact Mass | 216.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 216.36 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2CC3=C(C(=C)C[C@]13C2(C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sesquiterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Articulatus (Plant) Rel Props:Reference:ISBN:9780387706375