Cinnzeylanine
precursor
Showing entry for Cinnzeylanine
Identification
- PhytoHub ID
- PHUB002729
- Name
- Cinnzeylanine
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 62203-47-8
- Average Mass
- 426.506
- Monoisotopic Mass
- 426.225368055
- Chemical Formula
- C22H34O8
- IUPAC Name
- Not Available
- InChI Key
- DFYFOAFKHRTQLA-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C22H34O8/c1-11(2)17(24)10-19(26)15(5)9-20(27)16(17,6)22(19,28)21(30-20)14(29-13(4)23)12(3)7-8-18(15,21)25/h11-12,14,24-28H,7-10H2,1-6H3
- SMILES
CC(C)C1(O)CC2(O)C3(C)CC4(O)OC5(C(OC(C)=O)C(C)CCC35O)C2(O)C14C
- Structure
Structure for Cinnzeylanine
Calculated Properties
- Solubility (ALOGPS)
- 1.36e+01 g/l
- LogS (ALOGPS)
- -1.50
- LogP (ALOGPS)
- 0.21
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 5
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -3.302292980008715
- pKa (strongest acidic)
- 11.320110998745221
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 85379763
- ChEBI
- 172669
- Wikidata
- Q104978412
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Diterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Cinnamon | Herbs and Spices | 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