Identification

PhytoHub ID
PHUB000346
Name
Capsanthin
Synonyms
Not Available
CAS Number
465-42-9
Average Mass
584.885
Monoisotopic Mass
584.422945663
Chemical Formula
C40H56O3
IUPAC Name
paprika extract
InChI Key
VYIRVAXUEZSDNC-RDJLEWNRSA-N
InChI Identifier
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
6.77e-04 g/l
LogS (ALOGPS)
-5.94
LogP (ALOGPS)
8.20
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
11
Polar Surface Area
57.53
Refractivity
194.96380000000005
Polarizability
73.91177346124974
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.089718705187765
pKa (strongest acidic)
15.20725097551032
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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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