PhytoHub: Showing entry for cryptoxanthin-(beta)

cryptoxanthin-(beta)

Identification

PhytoHub ID

PHUB002548

Name

cryptoxanthin-(beta)

Systematic Name

Not Available

Synonyms

beta-Cryptoxanthin
cryptoxanthin
β,β-Caroten-3-ol,

CAS Number

472-70-8

Average Mass

552.887

Monoisotopic Mass

552.433116423

Chemical Formula

C₄₀H₅₆O

IUPAC Name

Not Available

InChI Key

DMASLKHVQRHNES-FKKUPVFPSA-N

InChI Identifier

InChI=1S/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-/m1/s1

SMILES

CC(\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[C@@H](O)CC1(C)C

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 5.03e-04 g/l
LogS (ALOGPS): -6.04
LogP (ALOGPS): 9.08
Hydrogen Acceptors: Not Available
Hydrogen Donors: Not Available
Rotatable Bond Count: Not Available
Polar Surface Area: Not Available
Refractivity: Not Available
Polarizability: Not Available
Formal Charge: Not Available
Physiological Charge: Not Available
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available
Number of Rings: Not Available
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 5281235
ChEBI: 10362
FooDB (Compounds): FDB031285
HMDB: HMDB0033844

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Carotenoids
Sub-class: Not Available

Spectra from Phytohub

	Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Food Sources

	Name	Group
	Papaya	Fruit, Tropical fruits	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for cryptoxanthin-(beta)