Isointermedeol
PubChem CID: 527217
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| Compound Synonyms | Isointermedeol, 71963-78-5, 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol, Neointermedeol, 1,4a-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalen-1-ol, (-)-Neointermedeol, CHEBI:192008, DPQYOKVMVCQHMY-UHFFFAOYSA-N, DTXSID501317463, (1S,4aR,7R,8aR)-1,4a-Dimethyl-7-(prop-1-en-2-yl)decahydronaphthalen-1-ol, 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1S,4aR,7R,8aR)-, 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,4a.alpha.,7.alpha.,8a.beta.)]-, 1-Naphthol, 1,2,3,4,4a,5,6,7,8,8a.alpha.-decahydro-7.beta.-isopropenyl-1.alpha.,4a.beta.-dimethyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Eudesmane sesquiterpenoids |
| Deep Smiles | CC=C)CCCCCC6)CC)O)CCC6)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Cymbopogon flexuosus (East Indian lemongrass). Isointermedeol is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1CCC2CCCCC2C1 |
| Inchi Key | DPQYOKVMVCQHMY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Isointermedeol, (+)-Intermedeol, 5beta,10alpha-Eudesm-11-en-4-ol, Intermedeol, Paradisiol, (-)-neointermedeol, isointermedeol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Isointermedeol |
| Kingdom | Organic compounds |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3 |
| Smiles | CC(=C)C1CCC2(CCCC(C2C1)(C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cymbopogon Flexuosus (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788172362461