Natural Product: ENC001602

NPs Basic Information

Download MOL File
Name
Oleamide
Molecular Formula C18H35NO
IUPAC Name*
(Z)-octadec-9-enamide
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N
InChI
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
InChIKey
FATBGEAMYMYZAF-KTKRTIGZSA-N
Synonyms
Oleamide; 301-02-0; Oleic acid amide; Oleylamide; Oleyl amide; (Z)-octadec-9-enamide; Slip-eze; Adogen 73; (9Z)-octadec-9-enamide; Crodamide O; Armoslip CP; Crodamide OR; cis-9,10-Octadecenoamide; 9-Octadecenamide; 9-Octadecenamide, (9Z)-; (Z)-9-OCTADECENAMIDE; 9-Octadecenamide, (Z)-; cis-9-Octadecenamide; ELAIDOYLAMIDE; 9Z-octadecenamide; Armid O; Unislip 1759; 9,10-octadecenoamide; (9Z)-9-Octadecenamide; Kemamide O; Petrac Slip-Eze; Amide O; 14C-labeled oleamide; Diamide O 200; Tocris-0878; 7L25QK8BWO; CHEMBL15927; CHEBI:116314; NSC-26987; (9E)-OCTADEC-9-ENAMIDE; ELD; 9,10-octadecenamide; octadec-9-enamide; trans-9,10-octadecenoamide; HSDB 5560; 9-Octadecenoic acid, amide (cis); SR-01000597434; EINECS 206-103-9; NSC 26987; UNII-7L25QK8BWO; Oleyramide; Aliphatic amide; AI3-36742; CCRIS 9471; Octadecene amide; MFCD00053638; 9(z)-octadecenamide; (9Z)-octadecenamide; Plastic additive 12; Diamid O 200; Diamit O 200; Oleamide, >=99%; (cis)-9-Octadecenoate; OLEAMIDE [INCI]; 9-Octadecenamide, cis-; cis-9,10-Octadecanamide; DSSTox_CID_7137; (cis)-9-Octadecenoic acid; Octadec-9-enoic acid amide; OLEYL AMIDE [HSDB]; (9Z)-9-Octadecenamide #; DSSTox_RID_78321; DSSTox_GSID_27137; SCHEMBL36321; BSPBio_001489; GTPL284; Oleamide, analytical standard; BML2-C10; DTXSID6027137; BDBM23028; (cis)-9-Octadecenoic acid amide; (Z)-Octadec-9-enoic acid amide; HMS1361K11; HMS1791K11; HMS1989K11; HMS3402K11; HMS3411B12; HMS3649L11; HMS3675B12; HY-N2327; NSC26987; OLEAMIDE (OLEIC ACID AMIDE); ZINC8036015; Tox21_200444; LMFA08010004; AKOS016010402; CCG-208731; PLASTIC ADDITIVE 12 [USP-RS]; IDI1_033959; NCGC00024839-01; NCGC00024839-04; NCGC00024839-05; NCGC00024839-06; NCGC00024839-07; NCGC00024839-08; NCGC00257998-01; AS-12260; CAS-301-02-0; CS-0021046; O0107; Q4370; C19670; A820197; SR-01000597434-1; SR-01000597434-2; W-106956; Plastic additive 20, European Pharmacopoeia (EP) Reference Standard; Plastic additive 12, United States Pharmacopeia (USP) Reference Standard
CAS 301-02-0
PubChem CID 5283387
ChEMBL ID CHEMBL15927
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboximidic acids and de
        • Subclass: Carboximidic acids
          • Direct Parent: Carboximidic acids

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

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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

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NPs Physi-Chem Properties

Molecular Weight: 281.5 ALogp: 6.6
HBD: 1 HBA: 1
Rotatable Bonds: 15 Lipinski's rule of five: Rejected
Polar Surface Area: 43.1 Aromatic Rings: 0
Heavy Atoms: 20 QED Weighted: 0.303

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.947 MDCK Permeability: 0.00003340
Pgp-inhibitor: 0 Pgp-substrate: 0
Human Intestinal Absorption (HIA): 0.012 20% Bioavailability (F20%): 0.968
30% Bioavailability (F30%): 0.997

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.367 Plasma Protein Binding (PPB): 98.30%
Volume Distribution (VD): 1.665 Fu: 1.03%

ADMET: Metabolism

CYP1A2-inhibitor: 0.304 CYP1A2-substrate: 0.234
CYP2C19-inhibitor: 0.373 CYP2C19-substrate: 0.058
CYP2C9-inhibitor: 0.214 CYP2C9-substrate: 0.906
CYP2D6-inhibitor: 0.162 CYP2D6-substrate: 0.492
CYP3A4-inhibitor: 0.421 CYP3A4-substrate: 0.047

ADMET: Excretion

Clearance (CL): 4.775 Half-life (T1/2): 0.413

ADMET: Toxicity

hERG Blockers: 0.393 Human Hepatotoxicity (H-HT): 0.05
Drug-inuced Liver Injury (DILI): 0.026 AMES Toxicity: 0.02
Rat Oral Acute Toxicity: 0.022 Maximum Recommended Daily Dose: 0.022
Skin Sensitization: 0.947 Carcinogencity: 0.067
Eye Corrosion: 0.029 Eye Irritation: 0.679
Respiratory Toxicity: 0.184
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

*Note: the compound similarity was calculated by RDKIT.