10-Epijunenol
PubChem CID: 573015
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| Compound Synonyms | 10-Epijunenol, (1S,8abeta)-Decahydro-2alpha-isopropyl-4abeta-methyl-8-methylenenaphthalen-1beta-ol, Eudesm-4(14)-en-6.alpha.-ol, CHEBI:191735, 1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-, 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of galbanum resin. 10-Epijunenol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MSJJKJCIFIGTJY-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.234 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 4.06 |
| Synonyms | 10-Epijunenol, Triol derivative of 11,13-dihydroreynosin, Triol derivative OF 11,13-dihydroreynosin |
| Compound Name | 10-Epijunenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.7735063999999996 |
| Inchi | InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3 |
| Smiles | CC(C)C1CCC2(CCCC(=C)C2C1O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all