Identification

PhytoHub ID
PHUB000366
Name
Neoxanthin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
600.8702
Monoisotopic Mass
600.41786028
Chemical Formula
C40H56O4
IUPAC Name
all-trans-neoxanthin
InChI Key
PGYAYSRVSAJXTE-MTYISEJWSA-N
InChI Identifier
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22-,33-,34-,38+,39+,40-/m0/s1
SMILES
O[C@@H]1C[C@@]2(C)O[C@@]2(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C=[C@]=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C1
Structure

Calculated Properties

Solubility (ALOGPS)
8.77e-04 g/l
LogS (ALOGPS)
-5.84
LogP (ALOGPS)
7.85
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
9
Polar Surface Area
73.22
Refractivity
194.03109999999995
Polarizability
74.2626980304669
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7377022034819802
pKa (strongest acidic)
14.005124919564018
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
Common peaPulses and beans PublicationsShow
Corn saladVegetables, Leaf vegetables PublicationsShow
EndiveVegetables, Leaf vegetables PublicationsShow
European plumFruit, Drupes PublicationsShow
LeekVegetables, Onion-family PublicationsShow
PeachFruit, Drupes PublicationsShow
Rocket saladVegetables, Leaf vegetables PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

Back