Natural Product: ENC000378

NPs Basic Information

Download MOL File
Name
Myristic Acid
Molecular Formula C14H28O2
IUPAC Name*
tetradecanoic acid
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
Synonyms
Tetradecanoic acid; MYRISTIC ACID; 544-63-8; n-Tetradecanoic acid; n-Tetradecan-1-oic acid; Crodacid; n-Tetradecoic acid; 1-Tridecanecarboxylic acid; Myristate; tetradecoic acid; Hydrofol acid 1495; Univol U 316S; Emery 655; Myristinsaeure; Hystrene 9014; FEMA No. 2764; Myristic acid, pure; n-Myristic acid; Myristic acid (natural); Tetradecanoate; acide tetradecanoique; NSC 5028; CCRIS 4724; CH3-[CH2]12-COOH; HSDB 5686; C14:0; Philacid 1400; CHEBI:28875; AI3-15381; Prifac 2942; NSC-5028; 1-tetradecanecarboxylic acid; PHILACID-1400; PRIFRAC-2942; 0I3V7S25AW; CHEMBL111077; NSC5028; DSSTox_CID_1666; n-tetradecan-1-oate; DSSTox_RID_76274; DSSTox_GSID_21666; 32112-52-0; CAS-544-63-8; Myristic acid [NF]; EINECS 208-875-2; BRN 0508624; myristoate; UNII-0I3V7S25AW; myristoic acid; n-Tetradecanoate; Tetradecanoicacid; 3usx; Myristic acid pure; Myristic Acid Flake; MFCD00002744; Hystrene 9514; Edenor C 14; Myristic Acid 655; 1-Tridecanecarboxylate; MAGNESIUMARSENATE; Myristic acid, 95%; Myristic acid, natural; tridecanecarboxylic acid; Myristic acid (8CI); Myristic Acid, Reagent; 3v2n; 3w9k; Myristic acid, puriss.; Tetradecanoic acid (9CI); bmse000737; Epitope ID:176772; MYRISTIC ACID [II]; MYRISTIC ACID [MI]; SCHEMBL6374; MYRISTIC ACID [FCC]; Myristic acid-[14-13C]; MYRISTIC ACID [FHFI]; MYRISTIC ACID [HSDB]; MYRISTIC ACID [INCI]; 4-02-00-01126 (Beilstein Handbook Reference); MLS002152942; WLN: QV13; Tetradecanoic (Myristic) acid; MYRISTIC ACID [MART.]; GTPL2806; MYRISTIC ACID [USP-RS]; DTXSID6021666; HMS3039E15; HMS3648O20; Myristic acid, analytical standard; HY-N2041; ZINC1530417; EINECS 250-924-5; Myristic acid, >=98.0% (GC); Tox21_201852; Tox21_302781; BDBM50147581; LMFA01010014; s5617; STL185697; Myristic acid, >=95%, FCC, FG; Myristic acid, Sigma Grade, >=99%; AKOS009156714; CCG-266785; DB08231; DS-3833; FA 14:0; NSC 122834; NCGC00091068-01; NCGC00091068-02; NCGC00091068-03; NCGC00256547-01; NCGC00259401-01; AC-34674; BP-27915; SMR001224536; CS-0018531; FT-0602832; FT-0770860; M0476; EN300-78099; C06424; Myristic acid, Vetec(TM) reagent grade, 98%; Q422658; SR-01000854525; SR-01000854525-3; W-109088; F8889-5016; Z1954802504; EDAE4876-C383-4AD4-A419-10C0550931DB; MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]; Myristic acid, United States Pharmacopeia (USP) Reference Standard; Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid; Myristic acid, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 544-63-8
PubChem CID 11005
ChEMBL ID CHEMBL111077
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Lipids and lipid-like mol
      • Class: Fatty Acyls
        • Subclass: Fatty acids and conjugate
          • Direct Parent: Long-chain fatty acids

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 228.37 ALogp: 5.3
HBD: 1 HBA: 2
Rotatable Bonds: 12 Lipinski's rule of five: Rejected
Polar Surface Area: 37.3 Aromatic Rings: 0
Heavy Atoms: 16 QED Weighted: 0.467

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.96 MDCK Permeability: 0.00002780
Pgp-inhibitor: 0.028 Pgp-substrate: 0
Human Intestinal Absorption (HIA): 0.005 20% Bioavailability (F20%): 0.754
30% Bioavailability (F30%): 0.987

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.163 Plasma Protein Binding (PPB): 98.20%
Volume Distribution (VD): 0.416 Fu: 1.28%

ADMET: Metabolism

CYP1A2-inhibitor: 0.256 CYP1A2-substrate: 0.202
CYP2C19-inhibitor: 0.099 CYP2C19-substrate: 0.213
CYP2C9-inhibitor: 0.249 CYP2C9-substrate: 0.986
CYP2D6-inhibitor: 0.007 CYP2D6-substrate: 0.069
CYP3A4-inhibitor: 0.017 CYP3A4-substrate: 0.024

ADMET: Excretion

Clearance (CL): 2.303 Half-life (T1/2): 0.718

ADMET: Toxicity

hERG Blockers: 0.04 Human Hepatotoxicity (H-HT): 0.03
Drug-inuced Liver Injury (DILI): 0.042 AMES Toxicity: 0.006
Rat Oral Acute Toxicity: 0.037 Maximum Recommended Daily Dose: 0.015
Skin Sensitization: 0.807 Carcinogencity: 0.078
Eye Corrosion: 0.979 Eye Irritation: 0.983
Respiratory Toxicity: 0.848
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000466 0.938 D07ILQ 0.641
ENC000050 0.882 D0O1PH 0.632
ENC000102 0.867 D0Z5SM 0.571
ENC000356 0.833 D05ATI 0.559
ENC000270 0.800 D0XN8C 0.529
ENC000642 0.800 D0Z5BC 0.528
ENC000110 0.789 D0O1TC 0.479
ENC000604 0.755 D00AOJ 0.474
ENC000088 0.733 D0P1RL 0.468
ENC001100 0.729 D0E4WR 0.455
*Note: the compound similarity was calculated by RDKIT.