14-hydroxyisolongifoldaldehyde
Showing entry for 14-hydroxyisolongifoldaldehyde
Identification
- PhytoHub ID
- PHUB000931
- Name
- 14-hydroxyisolongifoldaldehyde
- Systematic Name
- Not Available
- Synonyms
- (2S, 7S)-14-hydroxyisolongifoldaldehyde
- CAS Number
- Not Available
- Average Mass
- 236.355
- Monoisotopic Mass
- 236.177630013
- Chemical Formula
- C15H24O2
- IUPAC Name
- 3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.0^{2,9}]undecane-8-carbaldehyde
- InChI Key
- LKZRUFUJHRFLEY-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H24O2/c1-14(9-17)6-3-7-15(2)11-5-4-10(13(11)14)12(15)8-16/h8,10-13,17H,3-7,9H2,1-2H3
- SMILES
CC12CCCC(C)(CO)C3C(CCC13)C2C=O
- Structure
Structure for 14-hydroxyisolongifoldaldehyde
Calculated Properties
- Solubility (ALOGPS)
- 6.44e-02 g/l
- LogS (ALOGPS)
- -3.57
- LogP (ALOGPS)
- 2.25
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 67.38499999999999
- Polarizability
- 27.06566959172094
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.1837533092353658
- pKa (strongest acidic)
- 18.375088419004076
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Longifolene | Terpenoids | Sesquiterpenoids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Sesquiterpenoids
- Direct Parent Name
- Sesquiterpenoids
- Alternative Parent Names
- ["Aldehydes", "Hydrocarbon derivatives", "Organic oxides", "Primary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aldehyde", "Aliphatic homopolycyclic compound", "Carbonyl group", "Hydrocarbon derivative", "Longifolane or isolongifolane sesquiterpenoid", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Sesquiterpenoid"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Longifolene | Cheese | Milk and milk products | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Longifolene | 14-hydroxyisolongifoldaldehyde | rabbit | urine (major) | Not Available | Not Available | Not Available | Not Available | C15H24O2 | 236.177630013 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|