IMPPAT Phytochemical information: 
Myristic acid
Myristic acid
Summary

SMILES: CCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
DeepSMILES: CCCCCCCCCCCCCC=O)O
Functional groups: CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Fatty Acyls
ClassyFire Subclass: Fatty acids and conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty Acids and Conjugates
NP Classifier Class: Branched fatty acids|Unsaturated fatty acids
Synonymous chemical names:
crodacid, miristic acid, mylistic acid, myristic, myristic (tetradecanoic) acid, myristic acid, myristic acid (c14), myristic acit, myristic(tetradecanoic)acid, myristic-acid, myritic acid, n-tetradecanoic acid, tetradecanoic acid, tetradecanoic (myristic) acid, tetradecanoic acid, tetradecanoic acid (= myristic acid), tetradecanoic acid (=myristic acid), tetradecanoic acid (in mixture), tetradecanoic acid (myristic acid), tetradecanoic acid(myristic acid), tetradecanoic(myristic)acid, tetradecanoicacid, tetradecanonic acid
External chemical identifiers:
CID:11005; ChEMBL:CHEMBL111077; ChEBI:28875; ZINC:ZINC000001530417; FDASRS:0I3V7S25AW; SureChEMBL:SCHEMBL6374; MolPort-001-779-744
Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
Myristic acid
Physicochemical properties
Property name Tool Property value
Molecular weight (g/mol) RDKit 0
Log P RDKit 0
Topological polar surface area (Å2) RDKit
Number of hydrogen bond acceptors RDKit
Number of hydrogen bond donors RDKit
Number of carbon atoms RDKit
Number of heavy atoms RDKit
Number of heteroatoms RDKit
Number of nitrogen atoms RDKit
Number of sulfur atoms RDKit
Number of chiral carbon atoms RDKit
Stereochemical complexity RDKit 0
Number of sp hybridized carbon atoms RDKit
Number of sp2 hybridized carbon atoms RDKit
Number of sp3 hybridized carbon atoms RDKit
Shape complexity RDKit
Number of rotatable bonds RDKit
Number of aliphatic carbocycles RDKit
Number of aliphatic heterocycles RDKit
Number of aliphatic rings RDKit
Number of aromatic carbocycles RDKit
Number of aromatic heterocycles RDKit
Number of aromatic rings RDKit
Total number of rings RDKit
Number of saturated carbocycles RDKit
Number of saturated heterocycles RDKit
Number of saturated rings RDKit
Number of Smallest Set of Smallest Rings (SSSR) RDKit
Myristic acid
Drug-likeness properties
Property nameToolProperty value
Number of Lipinski’s rule of 5 violations RDKit 0
Lipinski’s rule of 5 filter RDKit Passed
Number of Ghose filter violations RDKit 0
Ghose filter RDKit Passed
Veber filter RDKit Bad
Pfizer 3/75 filter RDKit Bad
GSK 4/400 filter RDKit Bad
Weighted quantitative estimate of drug-likeness (QEDw) score RDKit 0.4884
Myristic acid
ADMET properties
Property nameToolProperty value
Bioavailability score SwissADME 0.85
Solubility class [ESOL] SwissADME Moderately soluble
Solubility class [Silicos-IT] SwissADME Moderately soluble
Blood Brain Barrier permeation SwissADME Yes
Gastrointestinal absorption SwissADME High
Log Kp (Skin permeation, cm/s) SwissADME -3.35
Number of PAINS structural alerts SwissADME 0.0
Number of Brenk structural alerts SwissADME 0.0
CYP1A2 inhibitor SwissADME Yes
CYP2C19 inhibitor SwissADME No
CYP2C9 inhibitor SwissADME No
CYP2D6 inhibitor SwissADME No
CYP3A4 inhibitor SwissADME No
P-glycoprotein substrate SwissADME No
Myristic acid
Predicted human target proteins
Protein identifierHGNC symbolCombined score from STITCH database
ENSP00000053469GUCA1A961
ENSP00000222271COMP795
ENSP00000226193RCVRN948
ENSP00000234310PPP3R1944
ENSP00000238651ACOT2900
ENSP00000240139PPP3CC748
ENSP00000250971INS800
ENSP00000258960NMT1937
ENSP00000263431PRKCG852
ENSP00000272102ARF1940
ENSP00000272298CALM2975
ENSP00000274024FABP2795
ENSP00000277508PAEP773
ENSP00000284818LY96958
ENSP00000287820PPARG823
ENSP00000291295CALM3854
ENSP00000295897ALB837
ENSP00000298316ARF6851
ENSP00000306010ARF4727
ENSP00000308024PCSK1900
ENSP00000309591PRKACA957
ENSP00000311224ACOT1900
ENSP00000312987HNF4A962
ENSP00000313921MSRA795
ENSP00000320940NCOA1800
ENSP00000323071ACOT4900
ENSP00000334246CYP4Z1732
ENSP00000336552PKIA800
ENSP00000339730THBS4705
ENSP00000348986INS-IGF2800
ENSP00000349467CALM1880
ENSP00000349687GM2A958
ENSP00000357362THBS3705
ENSP00000357591TRAPPC3L701
ENSP00000359719PRKACB741
ENSP00000360538FFAR4900
ENSP00000361423ABL1967
ENSP00000362261TRAPPC3957
ENSP00000362566HPCA747
ENSP00000363089TLR4963
ENSP00000363939PPP3R2728
ENSP00000365081APOM800
ENSP00000367086ACOT7900
ENSP00000367407NMT2782
ENSP00000367462OLAH829
ENSP00000369461ECI2932
ENSP00000370373FKBP1B735
ENSP00000371138FKBP1A957
ENSP00000378306PPP3CB778
ENSP00000378323PPP3CA954
ENSP00000387662GCG914
ENSP00000402060PVR958
ENSP00000408695PRKCA851
ENSP00000427562ABL2821
The human target proteins were predicted using STITCH, a database of Chemical-Protein interaction networks.