Cuminaldehyde metabolite 5
Showing entry for Cuminaldehyde metabolite 5
Identification
- PhytoHub ID
- PHUB000980
- Name
- Cuminaldehyde metabolite 5
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 150.221
- Monoisotopic Mass
- 150.104465071
- Chemical Formula
- C10H14O
- IUPAC Name
- [4-(propan-2-yl)phenyl]methanol
- InChI Key
- OIGWAXDAPKFNCQ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
- SMILES
CC(C)C1=CC=C(CO)C=C1
- Structure
Structure for Cuminaldehyde metabolite 5
Calculated Properties
- Solubility (ALOGPS)
- 6.51e-01 g/l
- LogS (ALOGPS)
- -2.36
- LogP (ALOGPS)
- 2.63
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 20.23
- Refractivity
- 47.0647
- Polarizability
- 17.95026483725292
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.7770259982345573
- pKa (strongest acidic)
- 15.049780525298225
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 27628
- PubChem
- 325
- Chemistry Dashboard
- DTXSID0021626
- KNApSAcK
- C00032864
- MetaboLights
- MTBLC27628
- FooDB (Compounds)
- FDB008492
- PeakForestCompound
- 000735
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Cuminaldehyde | 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
- Aromatic monoterpenoids
- Alternative Parent Names
- ["Aromatic alcohols", "Benzyl alcohols", "Cumenes", "Hydrocarbon derivatives", "Monocyclic monoterpenoids", "Phenylpropanes", "Primary alcohols"]
- External Descriptor Annotations
- ["Cyclic monoterpenes", "a small molecule", "benzyl alcohols"]
- Substituent Names
- ["Alcohol", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Aromatic monoterpenoid", "Benzenoid", "Benzyl alcohol", "Cumene", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Monocyclic monoterpenoid", "Organic oxygen compound", "Organooxygen compound", "P-cymene", "Phenylpropane", "Primary alcohol"]
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 | |||
|---|---|---|---|---|---|
| Cuminaldehyde | Cumin | Herbs and Spices | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cuminaldehyde | Cuminaldehyde metabolite 5 | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H14O | 150.104465071 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available