Showing entry for Lunularine
Identification
- PhytoHub ID
- PHUB001500
- Name
- Lunularine
- Synonyms
- 3,4'-dihydroxybibenzyl
- CAS Number
- Not Available
- Average Mass
- 214.264
- Monoisotopic Mass
- 214.099379691
- Chemical Formula
- C14H14O2
- IUPAC Name
- lunularin
- 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
- 23.853032924249376
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.4426068395465
- pKa (strongest acidic)
- 9.881328640467686
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | Lunularine | human in vitro (human) rat | faeces, urine | C14H14O2 | 214.099379691 | Publications |