Identification

PhytoHub ID
PHUB000356
Name
Cryptoxanthin-beta
Systematic Name
Not Available
Synonyms
  • Caricaxanthin
  • Cryptoxanthin
  • Cryptoxanthol
CAS Number
472-70-8
Average Mass
552.887
Monoisotopic Mass
552.433116423
Chemical Formula
C40H56O
IUPAC Name
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol
InChI Key
DMASLKHVQRHNES-XTASNMHZNA-N
InChI Identifier
InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/s2
SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[[email protected]@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
5.03e-04 g/l
LogS (ALOGPS)
-6.04
LogP (ALOGPS)
9.08
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
10
Polar Surface Area
20.23
Refractivity
193.2813000000001
Polarizability
72.71443902051081
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.089784856860705
pKa (strongest acidic)
18.907213404525137
Number of Rings
2
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
Common sageHerbs and Spices PublicationsShow
CornCereals and cereal products PublicationsShow
DillHerbs and Spices PublicationsShow
GuavaFruit, Tropical fruits PublicationsShow
Mandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
MangoFruit, Tropical fruits PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
PapayaFruit, Tropical fruits PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
PumpkinVegetables, Gourds PublicationsShow
Sweet basilHerbs and Spices PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
WatermelonVegetables, Gourds PublicationsShow

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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