Lunularine
Showing entry for Lunularine
Identification
- PhytoHub ID
- PHUB001500
- Name
- Lunularine
- Systematic Name
- Not Available
- Synonyms
- 3,4'-dihydroxybibenzyl
- CAS Number
- Not Available
- Average Mass
- 214.264
- Monoisotopic Mass
- 214.099379691
- Chemical Formula
- C14H14O2
- IUPAC Name
- 4-[2-(3-hydroxyphenyl)ethyl]phenol
- InChI Key
- ILEYXPCRQKRNIJ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2
- SMILES
OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 9.67e-02 g/l
- LogS (ALOGPS)
- -3.35
- LogP (ALOGPS)
- 3.05
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 3
- Polar Surface Area
- 40.46
- Refractivity
- 64.358
- Polarizability
- 23.85303292424938
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.4426068395464995
- pKa (strongest acidic)
- 9.881328640467686
- Number of Rings
- 2
- 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
- (Poly)phenol metabolites
- Class
- Stilbene metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Stilbenes
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Stilbenes
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds"]
- External Descriptor Annotations
- ["Bibenzyls", "Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "stilbenoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Stilbene"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
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 | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | Lunularine | human in vitro (human) rat | feces, urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C14H14O2 | 214.099379691 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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