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 - Experimental
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
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0009000000-40be04079cb18de3bc15Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0429000000-95038b947b50a758abf4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08fu-0913000000-0b4d5dc9d9296a13e7b5Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0917000000-8363f386a9c753e0a827Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0904000000-feb8f7d8fba3fbdf0f29Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0911000000-a740d602a8689a23ada9Spectrum
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 A substance that reduces or suppresses inflammation.DUKE
dermatitigenicDUKE
irritantDUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
proteolyticDUKE
pruritogenicDUKE
trichuricideDUKE
vermifuge25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.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).