Fucofuroeckol B
precursor
Showing entry for Fucofuroeckol B
Identification
- PhytoHub ID
- PHUB001677
- Name
- Fucofuroeckol B
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 478.365
- Monoisotopic Mass
- 478.053611271
- Chemical Formula
- C24H14O11
- IUPAC Name
- 19-(3,5-dihydroxyphenoxy)-10,14,21-trioxapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{15,20}]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-2,5,7,16,18-pentol
- InChI Key
- RGNBIKVVGUORSW-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C24H14O11/c25-8-1-9(26)3-11(2-8)32-21-13(29)6-14(30)22-24(21)35-23-17(34-22)7-16-19(20(23)31)18-12(28)4-10(27)5-15(18)33-16/h1-7,25-31H
- SMILES
OC1=CC(O)=C2C(OC3=CC4=C(OC5=C(O4)C(O)=CC(O)=C5OC4=CC(O)=CC(O)=C4)C(O)=C23)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.05e-01 g/l
- LogS (ALOGPS)
- -2.90
- LogP (ALOGPS)
- 3.56
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 2
- Polar Surface Area
- 182.44
- Refractivity
- 117.75750000000001
- Polarizability
- 45.58240591002672
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.8269362708293007
- pKa (strongest acidic)
- 6.8545097742129455
- Number of Rings
- 6
- Rule of Five
- No
- 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
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Tannins
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Tannins
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Diarylethers", "Dibenzo-p-dioxins", "Dibenzofurans", "Furans", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Oxacyclic compounds", "Phenol ethers", "Phenoxy compounds", "Polyols", "Resorcinols"]
- External Descriptor Annotations
- ["tannin"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzofuran", "Diaryl ether", "Dibenzo-p-dioxin", "Dibenzofuran", "Ether", "Furan", "Heteroaromatic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Polyol", "Resorcinol", "Tannin"]
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
No food source information available
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