Chamazulene
precursor
Showing entry for Chamazulene
Identification
- PhytoHub ID
- PHUB002666
- Name
- Chamazulene
- Systematic Name
- 1,4-Dimethyl-7-ethylazulene
- Synonyms
- Not Available
- CAS Number
- 529-05-5
- Average Mass
- 184.282
- Monoisotopic Mass
- 184.125200515
- Chemical Formula
- C14H16
- IUPAC Name
- 7-ethyl-1,4-dimethylazulene
- InChI Key
- GXGJIOMUZAGVEH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
- SMILES
CCC1=CC=C(C)C2=CC=C(C)C2=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.24e-01 g/l
- LogS (ALOGPS)
- -2.92
- LogP (ALOGPS)
- 5.45
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 62.2328
- Polarizability
- 23.061256369072186
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Roman camomile | 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