precursor
Showing entry for Lactucin
Identification
- PhytoHub ID
- PHUB000133
- Name
- Lactucin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 276.288
- Monoisotopic Mass
- 276.099773615
- Chemical Formula
- C15H16O5
- IUPAC Name
- lactucin
- InChI Key
- VJQAFLAZRVKAKM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3
- SMILES
CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 6.84e+00 g/l
- LogS (ALOGPS)
- -1.61
- LogP (ALOGPS)
- -0.28
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 83.83
- Refractivity
- 71.8651
- Polarizability
- 27.9208870492323
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.760564152181555
- pKa (strongest acidic)
- 13.003862645150448
Taxonomy
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Chicory | Vegetables, Root vegetables | Publications | Show | |
Lettuce | Vegetables, Leaf vegetables | Publications | Show |
Metabolism
No metabolism information available