(-)-Variabilin
precursor
Showing entry for (-)-Variabilin
Identification
- PhytoHub ID
- PHUB001712
- Name
- (-)-Variabilin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 300.31
- Monoisotopic Mass
- 300.099773615
- Chemical Formula
- C17H16O5
- IUPAC Name
- (1R,10R)-5,14-dimethoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11(16),12,14-hexaen-10-ol
- InChI Key
- VVPGAJNPGZZNBM-SJORKVTESA-N
- InChI Identifier
InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1
- SMILES
[H][C@]12OC3=C(C=CC(OC)=C3)[C@@]1(O)COC1=C2C=CC(OC)=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.48e-01 g/l
- LogS (ALOGPS)
- -3.31
- LogP (ALOGPS)
- 2.82
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 57.150000000000006
- Refractivity
- 78.63130000000001
- Polarizability
- 31.243117898899932
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.094838800814623
- pKa (strongest acidic)
- 12.036948329184675
- 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
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Isoflavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Furanoisoflavonoids
- Direct Parent Name
- Pterocarpans
- Alternative Parent Names
- ["1-benzopyrans", "Alkyl aryl ethers", "Anisoles", "Benzofurans", "Coumarans", "Hydrocarbon derivatives", "Isoflavanols", "Oxacyclic compounds", "Tertiary alcohols"]
- External Descriptor Annotations
- ["Pterocarpanes", "Pterocarpans", "pterocarpans"]
- Substituent Names
- ["1-benzopyran", "Alcohol", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzofuran", "Benzopyran", "Chromane", "Coumaran", "Ether", "Hydrocarbon derivative", "Isoflavan", "Isoflavanol", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pterocarpan", "Tertiary alcohol"]
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