ContaminantDB: FICIN

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:06:16 UTC

Update Date

2016-11-09 01:09:36 UTC

Accession Number

CHEM005759

Identification

Common Name

FICIN

Class

Small Molecule

Description

Chillproofing agent for beer, meat tenderiser, dough conditioner, rennet substitute, processing aid for precooked cereals. GRAS approved Ficain (or ficin) is an enzyme which is derived from figs latex. It is of a family of proteases known as the cysteine endopeptidases, a group that also includes papain derived from papaya latex, bromelase (bromelain) extracted from pineapple stem, calpain, caspases, cathespisin B, and chymopapain.; It is one of the most commonly used for differentiating many blood group antigens: eg destroy M, N, S, Duffy a and Duffy b and enhance some other antigens. Ficin is found in many foods, some of which are alcoholic beverages, fig, animal foods, and cereals and cereal products.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ficus protease	HMDB
Higueroxyl delabarre	HMDB
Ficain	MeSH
Ficin	MeSH

Chemical Formula

CH₂FI₂N

Average Molecular Mass

300.841 g/mol

Monoisotopic Mass

300.826 g/mol

CAS Registry Number

9001-33-6

IUPAC Name

fluoro[(imino-λ³-iodanyl)methylidene]-λ³-iodane

Traditional Name

fluoro[(imino-λ³-iodanyl)methylidene]-λ³-iodane

SMILES

F[I]=C[I]=N

InChI Identifier

InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H

InChI Key

POTUGHMKJGOKRI-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as organoiodides. Organoiodides are compounds containing a chemical bond between a carbon atom and an iodine atom.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Organoiodides

Sub Class

Not Available

Direct Parent

Organoiodides

Alternative Parents

Substituents

Organic nitrogen compound
Hydrocarbon derivative
Organoiodide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	9.77 g/L	ALOGPS
logP	-1.7	ALOGPS
logS	-1.5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	23.85 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	36.45 m³·mol⁻¹	ChemAxon
Polarizability	15.51 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000x-0972000000-9aa51648157ae2b55568	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0009000000-40be04079cb18de3bc15	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-0429000000-95038b947b50a758abf4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fu-0913000000-0b4d5dc9d9296a13e7b5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0917000000-8363f386a9c753e0a827	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0904000000-feb8f7d8fba3fbdf0f29	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-0911000000-a740d602a8689a23ada9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0390000000-a2a868c32272914ce116	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-c602b1afd75233712e57	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0900000000-c602b1afd75233712e57	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0009000000-ffab7e66dc1bb28a116a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udr-0159000000-9ac668165e994e4045c8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-0900000000-3624c6ca61565a1d211a	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0037833

FooDB ID

FDB016983

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Ficain

Chemspider ID

21172771

ChEBI ID

Not Available

PubChem Compound ID

129630591

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

FICIN (CHEM005759)

Structure for CHEM005759: FICIN