Caryophyllen-beta
precursor
Showing entry for Caryophyllen-beta
Identification
- PhytoHub ID
- PHUB000111
- Name
- Caryophyllen-beta
- Systematic Name
- Not Available
- Synonyms
- Caryophyllen
- Caryophyllen (trans-)
- CAS Number
- Not Available
- Average Mass
- 204.357
- Monoisotopic Mass
- 204.187800773
- Chemical Formula
- C15H24
- IUPAC Name
- (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
- InChI Key
- NPNUFJAVOOONJE-GFUGXAQUSA-N
- InChI Identifier
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
- SMILES
[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C
- Structure
Structure for Caryophyllen-beta
Calculated Properties
- Solubility (ALOGPS)
- 3.01e-03 g/l
- LogS (ALOGPS)
- -4.83
- LogP (ALOGPS)
- 5.35
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 0.0
- Refractivity
- 67.4524
- Polarizability
- 25.655366054121874
- 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
External Links
- ChEBI
- 10357
- PubChem
- 5281515
- Chemistry Dashboard
- DTXSID8024739
- MetaboLights
- MTBLC10357
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found