Pseudobaptigenin
precursor
Showing entry for Pseudobaptigenin
Identification
- PhytoHub ID
- PHUB003036
- Name
- Pseudobaptigenin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 90-29-9
- Average Mass
- 282.251
- Monoisotopic Mass
- 282.052823422
- Chemical Formula
- C16H10O5
- IUPAC Name
- 3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one
- InChI Key
- KNJNBKINYHZUGC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
- SMILES
OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCO2)C=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 64.99000000000001
- Refractivity
- 73.48800000000001
- Polarizability
- 28.21067778522132
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.64731345698964
- pKa (strongest acidic)
- 6.477841363541507
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
Name | Group | |||
---|---|---|---|---|
Red clover | Pulses and beans | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available