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
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ChicoryVegetables, Root vegetables PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

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