Identification

PhytoHub ID
PHUB002103
Name
11β,13-dihydrolactucin
Systematic Name
Not Available
Synonyms
  • 11,13-dihydrolactucin
CAS Number
Not Available
Average Mass
278.304
Monoisotopic Mass
278.11542368
Chemical Formula
C15H18O5
IUPAC Name
11β,13-dihydrolactucin
InChI Key
ZHZZKRDEPZMPLJ-WLVQVHLUSA-N
InChI Identifier
InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9-,12+,13-,14-/m0/s1
SMILES
[H][[email protected]]12OC(=O)[[email protected]@H](C)[[email protected]]1([H])[[email protected]@H](O)CC(C)=C1C(=O)C=C(CO)[[email protected]]21[H]
Structure

Calculated Properties

Solubility (ALOGPS)
3.89e+00 g/l
LogS (ALOGPS)
-1.86
LogP (ALOGPS)
-0.19
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
83.83
Refractivity
72.0617
Polarizability
28.76242715380421
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7605588236894016
pKa (strongest acidic)
14.547117109329545
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ChicoryVegetables, Root vegetables PublicationsShow

Metabolism

No metabolism information available

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