Identification

PhytoHub ID
PHUB000364
Name
Lycoxanthin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
552.887
Monoisotopic Mass
552.433116423
Chemical Formula
C40H56O
IUPAC Name
lycoxanthin
InChI Key
IFTRFNLCKUZSNG-SFEKFZNLSA-N
InChI Identifier
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
SMILES
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CO
Structure

Calculated Properties

Solubility (ALOGPS)
4.71e-04 g/l
LogS (ALOGPS)
-6.07
LogP (ALOGPS)
8.76
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
17
Polar Surface Area
20.23
Refractivity
199.58070000000004
Polarizability
74.92487343861319
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.079706816326345
pKa (strongest acidic)
16.6440173380742
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

No metabolism information available

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