6-exo-hydroxyfenchone
Showing entry for 6-exo-hydroxyfenchone
Identification
- PhytoHub ID
- PHUB001815
- Name
- 6-exo-hydroxyfenchone
- Systematic Name
- (1S,4R,6S)-6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
- Synonyms
- 6-hydroxy-3,3-dimethylnorbornan-2-one
- CAS Number
- 851210-93-0
- Average Mass
- 168.236
- Monoisotopic Mass
- 168.115029755
- Chemical Formula
- C10H16O2
- IUPAC Name
- (1S,4R,6S)-6-hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
- InChI Key
- RBJVDSYEMJHFOC-BYULHYEWSA-N
- InChI Identifier
InChI=1S/C10H16O2/c1-9(2)6-4-7(11)10(3,5-6)8(9)12/h6-7,11H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
- SMILES
[H][C@]1(O)C[C@@]2([H])C[C@]1(C)C(=O)C2(C)C
- Structure
Structure for 6-exo-hydroxyfenchone
Calculated Properties
- Solubility (ALOGPS)
- 9.79e+00 g/l
- LogS (ALOGPS)
- -1.24
- LogP (ALOGPS)
- 1.07
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 0
- Polar Surface Area
- 37.3
- Refractivity
- 46.05930000000001
- Polarizability
- 18.746286600809604
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.0035659112217132
- pKa (strongest acidic)
- 14.53185662729375
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- PubChem
- 101379801
- ChEBI
- CHEBI:197167
- HMDB
- HMDB0182798
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| (+)-fenchone | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Monoterpenoids
- Direct Parent Name
- Bicyclic monoterpenoids
- Alternative Parent Names
- ["Cyclic alcohols and derivatives", "Hydrocarbon derivatives", "Ketones", "Organic oxides", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aliphatic homopolycyclic compound", "Bicyclic monoterpenoid", "Carbonyl group", "Cyclic alcohol", "Fenchane monoterpenoid", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol"]
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
Role as Biomarker of intake
No roles as Biomarker of intake found