Identification

PhytoHub ID
PHUB000116
Name
Deoxylactucin (8-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
260.289
Monoisotopic Mass
260.104858995
Chemical Formula
C15H16O4
IUPAC Name
8-deoxylactucin
InChI Key
NIYXMGSLECQTQT-BPNCWPANSA-N
InChI Identifier
InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1
SMILES
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.05e+00 g/l
LogS (ALOGPS)
-2.39
LogP (ALOGPS)
0.99
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
63.60000000000001
Refractivity
70.2944
Polarizability
27.15525667867124
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7605630390411546
pKa (strongest acidic)
13.389920866011945
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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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