Identification

PhytoHub ID
PHUB000358
Name
Flavoxanthin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
584.885
Monoisotopic Mass
584.422945663
Chemical Formula
C40H56O3
IUPAC Name
flavoxanthin
InChI Key
JRHJXXLCNATYLS-NGZWBNMCSA-N
InChI Identifier
InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/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@@H]1O[C@]2(C)C[C@@H](O)CC(C)(C)C2=C1
Structure

Calculated Properties

Solubility (ALOGPS)
7.82e-04 g/l
LogS (ALOGPS)
-5.87
LogP (ALOGPS)
8.13
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
9
Polar Surface Area
49.69
Refractivity
193.62630000000007
Polarizability
73.79950570293931
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3909953909044286
pKa (strongest acidic)
15.128958926789295
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

Metabolism

No metabolism information available

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