(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide
PubChem CID: 14866156
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| Compound Synonyms | (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide, 6beta-Hydroxyeremphilenolide, CHEBI:174300, 6beta-Hydroxyeremophil-7(11)-en-12,8alpha-olide, 4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-7(11)-eremophilen-12,8a-olide is found in giant butterbur and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C15H22O3 |
| Inchi Key | YDCNBSJHGGIZNP-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 6b-Hydroxy-7(11)-eremophilen-12,8a-olide, 6beta-Hydroxyeremophil-7(11)-en-12,8alpha-olide, 6beta-Hydroxyeremophilenolide, 6beta-Hydroxyeremphilenolide, (6b,8a)-6-Hydroxy-7(11)-eremophilen-12,8-olide, (6Β,8α)-6-hydroxy-7(11)-eremophilen-12,8-olide |
| Compound Name | (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide |
| Kingdom | Organic compounds |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3 |
| Smiles | CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Terpene lactones |
- 1. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:fooddb_chem_all