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:
tetradecanoic acid, myristic acit, tetradecanoic acid (in mixture), tetradecanoicacid, Myristic acid, myristic (tetradecanoic) acid, myritic acid, myristic(tetradecanoic)acid, n-tetradecanoic acid, mylistic acid, myristic acid (c14), tetradecanonic acid, myristic, miristic acid, tetradecanoic acid (myristic acid), Tetradecanoic acid, Myristic Acid, crodacid, tetradecanoic acid(myristic acid), myristic acid, myristic-acid, tetradecanoic acid (=myristic acid), tetradecanoic (myristic) acid, tetradecanoic acid (= myristic acid), tetradecanoic(myristic)acid, tetradecanoic acid
External chemical identifiers:
CID:CID_11005; ChEMBL:CHEMBL111077; ChEBI: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 228.38
Log P RDKit 4.77
Topological polar surface area (Å2) RDKit 37.3
Number of hydrogen bond acceptors RDKit 1
Number of hydrogen bond donors RDKit 1
Number of carbon atoms RDKit 14
Number of heavy atoms RDKit 16
Number of heteroatoms RDKit 2
Number of nitrogen atoms RDKit 0
Number of sulfur atoms RDKit 0
Number of chiral carbon atoms RDKit 0
Stereochemical complexity RDKit 0
Number of sp hybridized carbon atoms RDKit 0
Number of sp2 hybridized carbon atoms RDKit 1
Number of sp3 hybridized carbon atoms RDKit 13
Shape complexity RDKit 0.93
Number of rotatable bonds RDKit 12
Number of aliphatic carbocycles RDKit 0
Number of aliphatic heterocycles RDKit 0
Number of aliphatic rings RDKit 0
Number of aromatic carbocycles RDKit 0
Number of aromatic heterocycles RDKit 0
Number of aromatic rings RDKit 0
Total number of rings RDKit 0
Number of saturated carbocycles RDKit 0
Number of saturated heterocycles RDKit 0
Number of saturated rings RDKit 0
Number of Smallest Set of Smallest Rings (SSSR) RDKit 0
Myristic acid
Drug-likeness
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 0.488351
Myristic acid
ADME 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
Number of Brenk structural alerts SwissADME 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
Phytochemical - Human target proteins supported by experimental evidence associations
Human target proteins supported by experimental evidence
IMPPAT target identifierGene identifierHGNC symbolEntrez Gene identifierSource
TAR_EXP_001073ENSG00000077463SIRT651548BindingDB, ChEMBL
TAR_EXP_001031ENSG00000112312GMNN51053NPASS
TAR_EXP_000773ENSG00000169083AR367NPASS
TAR_EXP_000720ENSG00000106211HSPB13315NPASS
TAR_EXP_000572ENSG00000108773KAT2A2648NPASS
TAR_EXP_000504ENSG00000179593ALOX15B247NPASS
TAR_EXP_000315ENSG00000106976DNM11759BindingDB, ChEMBL, NPASS
TAR_EXP_000433ENSG00000168496FEN12237NPASS
TAR_EXP_000285ENSG00000137869CYP19A11588ChEMBL, NPASS
TAR_EXP_000097ENSG00000108468CBX110951NPASS
TAR_EXP_000053ENSG00000079337RAPGEF310411NPASS
TAR_EXP_000475ENSG00000120948TARDBP23435NPASS
TAR_EXP_001139ENSG00000166851PLK15347NPASS
TAR_EXP_000604ENSG00000112164GLP1R2740NPASS
TAR_EXP_001160ENSG00000242515UGT1A1054575ChEMBL, NPASS
TAR_EXP_001142ENSG00000139572GPR8453831ChEMBL, NPASS
TAR_EXP_001942ENSG00000012504NR1H49971NPASS
TAR_EXP_001857ENSG00000104321TRPA18989ChEMBL, NPASS
TAR_EXP_001663ENSG00000162607USP17398NPASS
TAR_EXP_001613ENSG00000137462TLR27097ChEMBL, NPASS
TAR_EXP_001549ENSG00000166311SMPD16609NPASS
TAR_EXP_001206ENSG00000042088TDP155775NPASS
TAR_EXP_001171ENSG00000132170PPARG5468BindingDB, ChEMBL, NPASS
TAR_EXP_001665ENSG00000111424VDR7421NPASS
TAR_EXP_001161ENSG00000242366UGT1A854576ChEMBL, NPASS
TAR_EXP_001166ENSG00000186951PPARA5465ChEMBL, NPASS
TAR_EXP_001170ENSG00000112033PPARD5467ChEMBL, NPASS