Showing Compound Ficin (FDB016983)

Record Information

Version

1.0

Creation date

2010-04-08 22:12:46 UTC

Update date

2019-11-26 03:14:01 UTC

Primary ID

FDB016983

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Ficin

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.

CAS Number

9001-33-6

Structure

MOL SDF PDB SMILES InChI

Synonyms

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

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	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

CH2FI2N

IUPAC name

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

InChI Identifier

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

InChI Key

POTUGHMKJGOKRI-UHFFFAOYSA-N

Isomeric SMILES

F[I]=C[I]=N

Average Molecular Weight

300.8406

Monoisotopic Molecular Weight

300.826064114

Classification

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

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Food

Biological:

Plant:

Poaceae

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Biological role:

Nutrient

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Ficin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-000x-0972000000-9aa51648157ae2b55568	Spectrum
Predicted GC-MS	Ficin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0009000000-40be04079cb18de3bc15	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-0429000000-95038b947b50a758abf4	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fu-0913000000-0b4d5dc9d9296a13e7b5	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0917000000-8363f386a9c753e0a827	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0904000000-feb8f7d8fba3fbdf0f29	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-0911000000-a740d602a8689a23ada9	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0390000000-a2a868c32272914ce116	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-c602b1afd75233712e57	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0900000000-c602b1afd75233712e57	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0009000000-ffab7e66dc1bb28a116a	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udr-0159000000-9ac668165e994e4045c8	Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-0900000000-3624c6ca61565a1d211a	Spectrum

NMR

Not Available

External Links

ChemSpider ID

21172771

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

Not Available

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB37833

CRC / DFC (Dictionary of Food Compounds) ID

KVT16-U:KVT16-U

EAFUS ID

1390

Dr. Duke ID

FICIN

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Ficin

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Descriptor	ID	Definition	Reference
anti inflammatory	35472	A substance that reduces or suppresses inflammation.	DUKE
dermatitigenic			DUKE
irritant			DUKE
pesticide	25944	Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.	DUKE
proteolytic			DUKE
pruritogenic			DUKE
trichuricide			DUKE
vermifuge	25944	Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.	DUKE