Record Information
Version1.0
Creation date2010-04-08 22:12:46 UTC
Update date2019-11-26 03:14:01 UTC
Primary IDFDB016983
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFicin
DescriptionChillproofing 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 Number9001-33-6
Structure
Thumb
Synonyms
SynonymSource
Ficus proteaseHMDB
Higueroxyl delabarreHMDB
FicainMeSH
FicinMeSH
Predicted Properties
PropertyValueSource
Water Solubility9.77 g/LALOGPS
logP-1.7ALOGPS
logS-1.5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.85 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity36.45 m³·mol⁻¹ChemAxon
Polarizability15.51 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCH2FI2N
IUPAC namefluoro[(imino-λ³-iodanyl)methylidene]-λ³-iodane
InChI IdentifierInChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H
InChI KeyPOTUGHMKJGOKRI-UHFFFAOYSA-N
Isomeric SMILESF[I]=C[I]=N
Average Molecular Weight300.8406
Monoisotopic Molecular Weight300.826064114
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.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassOrganoiodides
Sub ClassNot Available
Direct ParentOrganoiodides
Alternative Parents
Substituents
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organoiodide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSFicin, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-000x-0972000000-9aa51648157ae2b55568Spectrum
Predicted GC-MSFicin, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0009000000-40be04079cb18de3bc152016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0429000000-95038b947b50a758abf42016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08fu-0913000000-0b4d5dc9d9296a13e7b52016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0917000000-8363f386a9c753e0a8272016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0904000000-feb8f7d8fba3fbdf0f292016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0911000000-a740d602a8689a23ada92016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0390000000-a2a868c32272914ce1162021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-c602b1afd75233712e572021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-c602b1afd75233712e572021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0009000000-ffab7e66dc1bb28a116a2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udr-0159000000-9ac668165e994e4045c82021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0900000000-3624c6ca61565a1d211a2021-09-24View Spectrum
NMRNot Available
ChemSpider ID21172771
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB37833
CRC / DFC (Dictionary of Food Compounds) IDKVT16-U:KVT16-U
EAFUS ID1390
Dr. Duke IDFICIN
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDFicin
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
Anti-inflammatory35472 An agent that reduces inflammation, playing a biological role in suppressing immune responses and therapeutic applications in managing pain, swelling, and redness. Key medical uses include treating arthritis, allergies, and autoimmune disorders, as well as relieving symptoms of conditions such as asthma and dermatitis.DUKE
DermatitigenicAn agent that causes inflammation of the skin (dermatitis), triggering allergic reactions and immune responses. Its biological role involves activating immune cells, leading to skin irritation. Therapeutically, it is used to test skin sensitivity and develop treatments for dermatitis. Key medical uses include diagnosing skin allergies and researching dermatitis treatments.DUKE
IrritantAn agent that causes slight inflammation or discomfort, stimulating a biological response. Therapeutically, it can be used to increase blood flow or stimulate healing. Key medical uses include treating wounds, skin conditions, and respiratory issues, such as congestion, by inducing a mild inflammatory response to promote recovery.DUKE
Pesticide25944 An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections.DUKE
ProteolyticAn agent that catalyzes proteolysis, breaking down proteins into smaller polypeptides or amino acids, playing a biological role in protein regulation and turnover. It has therapeutic applications in wound healing, cancer treatment, and inflammatory disease management, with key medical uses including digestive enzyme supplementation and oncology therapy.DUKE
PruritogenicAn agent that induces pruritus, or itching, playing a role in inflammatory and allergic responses. Therapeutically, understanding pruritogenic mechanisms helps develop treatments for itch-related disorders, with key medical uses in managing conditions like atopic dermatitis, psoriasis, and uremic pruritus.DUKE
TrichuricideAn agent that kills parasitic whipworms of the genus Trichuris, used to treat trichuriasis, a parasitic infection affecting the large intestine, and other related gastrointestinal disorders.DUKE
Vermifuge25944 An agent that expels or destroys intestinal parasites, such as worms, by paralyzing or killing them, commonly used to treat parasitic infections like hookworm, roundworm, and tapeworm infestations.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).