precursor

Showing entry for Antheraxanthin

Identification

PhytoHub ID
PHUB000343
Name
Antheraxanthin
Synonyms
Not Available
CAS Number
640-03-9
Average Mass
584.885
Monoisotopic Mass
584.422945663
Chemical Formula
C40H56O3
IUPAC Name
antheraxanthin
InChI Key
OFNSUWBAQRCHAV-OYQUVCAXSA-N
InChI Identifier
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[[email protected]@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[[email protected]@]12O[[email protected]]1(C)C[[email protected]@H](O)CC2(C)C
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
6.58e-04 g/l
LogS (ALOGPS)
-5.95
LogP (ALOGPS)
8.37
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
52.989999999999995
Refractivity
193.63890000000004
Polarizability
74.08135379979839
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.089506579901021
pKa (strongest acidic)
15.139684034106125
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
PaprikaHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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