EMNPD

NPs Basic Information
NPs Species Source
NPs Content
NPs Biological Activity
NPs Physi-Chem Properties
NPs ADMET Properties
Similar NPs and Drugs

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

	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:	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:

Similar NPs					Similar Drugs
NPs ID	NPs 2D Structure	Similarity Score			TTD ID	Drug 2D Structure	Similarity Score
ENC001646		1.000			D0O1PH		0.757
ENC002845		0.895			D0O1TC		0.538
ENC001555		0.839			D07ILQ		0.519
ENC001699		0.839			D0OR6A		0.468
ENC001419		0.839			D0UE9X		0.462
ENC001100		0.839			D0Z5SM		0.461
ENC001592		0.839			D05ATI		0.444
ENC001591		0.839			D00AOJ		0.393
ENC001710		0.826			D0Z5BC		0.388
ENC001682		0.800			D09SRR		0.375

*Note: the compound similarity was calculated by RDKIT.