Identification

PhytoHub ID
PHUB000360
Name
Lactucaxanthin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
568.886
Monoisotopic Mass
568.428031043
Chemical Formula
C40H56O2
IUPAC Name
lactucaxanthin
InChI Key
BIPAHAFBQLWRMC-SUOWZELTSA-N
InChI Identifier
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
8.14e-04 g/l
LogS (ALOGPS)
-5.84
LogP (ALOGPS)
8.31
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
40.46
Refractivity
195.17600000000002
Polarizability
74.12503091254848
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.0905350828740774
pKa (strongest acidic)
18.21727233987641
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
LettuceVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

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