Identification

PhytoHub ID
PHUB000350
Name
Carotene-beta
Synonyms
  • Carotene
CAS Number
7235-40-7
Average Mass
536.888
Monoisotopic Mass
536.438201803
Chemical Formula
C40H56
IUPAC Name
β-carotene
InChI Key
OENHQHLEOONYIE-JLTXGRSLSA-N
InChI Identifier
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
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)CCCC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.91e-04 g/l
LogS (ALOGPS)
-6.14
LogP (ALOGPS)
9.72
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
10
Polar Surface Area
0.0
Refractivity
191.61180000000013
Polarizability
71.84136004580817
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow
BananaFruit, Tropical fruits PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
Brussel sproutsVegetables, Cabbages PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
Cherry tomatoVegetables, Fruit vegetables PublicationsShow
Common cabbageVegetables, Cabbages PublicationsShow
Common peaPulses and beans PublicationsShow
Common sageHerbs and Spices PublicationsShow
EndiveVegetables, Leaf vegetables PublicationsShow
European plumFruit, Drupes PublicationsShow
Garden cressVegetables, Leaf vegetables PublicationsShow
Green beanVegetables, Other vegetables PublicationsShow
GuavaFruit, Tropical fruits PublicationsShow
Hot chili (Capsicum annuum, C. frutescens)Vegetables, Fruit vegetables PublicationsShow
KaleVegetables, Cabbages PublicationsShow
KetchupCondiments and seasonings PublicationsShow
LeekVegetables, Onion-family PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
MangoFruit, Tropical fruits PublicationsShow
NectarineFruit, Drupes PublicationsShow
PapayaFruit, Tropical fruits PublicationsShow
ParsleyHerbs and Spices PublicationsShow
PeachFruit, Drupes PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
PistachioNuts PublicationsShow
PumpkinVegetables, Gourds PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
Sweet basilHerbs and Spices PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
Sweet potatoVegetables, Tubers PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow
WatermelonVegetables, Gourds PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Carotene-beta RetinalhumanserumC20H28O284.214015518
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