2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol
Showing entry for 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol
Identification
- PhytoHub ID
- PHUB001793
- Name
- 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 210.185
- Monoisotopic Mass
- 210.052823422
- Chemical Formula
- C10H10O5
- IUPAC Name
- 4-(1-carboxyethyl)-2-hydroxybenzoic acid
- InChI Key
- GEEHXFLAKPWXJJ-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C10H10O5/c1-5(9(12)13)6-2-3-7(10(14)15)8(11)4-6/h2-5,11H,1H3,(H,12,13)(H,14,15)
- SMILES
CC(C(O)=O)C1=CC=C(C(O)=O)C(O)=C1
- Structure
Structure for 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol
Calculated Properties
- Solubility (ALOGPS)
- 1.53e+00 g/l
- LogS (ALOGPS)
- -2.14
- LogP (ALOGPS)
- 1.62
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 94.83000000000001
- Refractivity
- 51.1772
- Polarizability
- 19.897906076739506
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -6.297057162672694
- pKa (strongest acidic)
- 2.689858297991086
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Carvacrol | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
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 | |||
|---|---|---|---|---|---|
| Carvacrol | Common oregano | Herbs and Spices | Publications | Show | |
| Carvacrol | Common thyme | Herbs and Spices | Publications | Show | |
| Carvacrol | Hop marjoram | Herbs and Spices | Publications | Show | |
| Carvacrol | Nigella (Nigella sativa) | Herbs and Spices | Publications | Show | |
| Carvacrol | Summer savory | Herbs and Spices | Publications | Show | |
| Carvacrol | Sweet marjoram | Herbs and Spices | Publications | Show | |
| Carvacrol | Thyme (Thymus capitatus ) | Herbs and Spices | Publications | Show | |
| Carvacrol | Winter savory | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carvacrol | 2-(4-Hydroxymethyl-3-hydroxyphenyl)propan-1-ol | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C10H10O5 | 210.052823422 |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|