precursor

Showing entry for Flavoxanthin

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
MOLSDFPDBSMILESInChI

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
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ElderberryFruit, Berries PublicationsShow
European plumFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

Back