Showing entry for 3,4'-dihydroxy-trans-stilbene
Identification
- PhytoHub ID
- PHUB001501
- Name
- 3,4'-dihydroxy-trans-stilbene
- Synonyms
- 3,4′-Dihydroxystilbene; 3-[(E)-2-(4-Hydroxyphenyl)vinyl]phenol; phenol, 3-[(E)-2-(4-hydroxyphenyl)et
- CAS Number
- Not Available
- Average Mass
- 212.248
- Monoisotopic Mass
- 212.083729626
- Chemical Formula
- C14H12O2
- IUPAC Name
- 4-[(E)-2-(3-hydroxyphenyl)ethenyl]phenol
- InChI Key
- UFGKEFGYNRJIGO-SNAWJCMRSA-N
- InChI Identifier
InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+
- SMILES
OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.07e-02 g/l
- LogS (ALOGPS)
- -3.72
- LogP (ALOGPS)
- 3.28
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 2
- Polar Surface Area
- 40.46
- Refractivity
- 65.47460000000002
- Polarizability
- 23.540391472876554
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -6.4500938687797325
- pKa (strongest acidic)
- 8.655242168646843
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-) | 3,4'-dihydroxy-trans-stilbene | human in vitro (human) | faeces, urine | C14H12O2 | 212.083729626 | Publications |