Oleamide - Compound Card

Oleamide

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Oleamide

Family: Plantae - Portulacacea
Kingdom: Plantae
Class: Fatty Acid Amine

Canonical 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
Formula	C₁₈H₃₅NO
HBA	1
HBD	1
MW	281.48
Rotatable Bonds	15
TPSA	43.09
LogP	5.51
Number Rings	0
Number Aromatic Rings	0
Heavy Atom Count	20
Formal Charge	0
Fraction CSP3	0.83
Exact Mass	281.27
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Portulaca oleracea	Portulacacea	Plantae	46147

Showing of synonyms

Nazeam J.A, El-Hefnawy H.M, et al. (2018). Chemical profile and antihyperlipidemic effect of Portulaca oleracea L. seeds in diabetic rats streptozotocininduced. Natural product research,2018, 32(12), 1484-1488. [View] [PubMed]

Pubchem: 5283387

Gnps: CCMSLIB00003140035

Zinc: ZINC000008036015

Chebi: 116314

Nmrshiftdb2: 60019628

Metabolights: MTBLC116314

Chembl: CHEMBL15927

Comptox: DTXSID6027137

Bindingdb: 23028

CPRiL: 55631

No scaffolds available.

No bioactivities available.

Absorption

Caco-2 (logPapp): -5.05
Human Oral Bioavailability 20%: Non-Bioavailable
Human Intestinal Absorption: Absorbed
Madin-Darby Canine Kidney: -3.63
Human Oral Bioavailability 50%: Non-Bioavailable
P-Glycoprotein Inhibitor: Non-Inhibitor
P-Glycoprotein Substrate: Substrate
Skin Permeability: -3.37

Distribution

Blood-Brain Barrier (CNS): -
Blood-Brain Barrier: Penetrable
Fraction Unbound (Human): 1.58
Plasma Protein Binding: 35.51
Steady State Volume of Distribution: -

Metabolism

Breast Cancer Resistance Protein: Non-Inhibitor
CYP 1A2 Inhibitor: Inhibitor
CYP 1A2 Substrate: Non-Substrate
CYP 2C19 Inhibitor: Non-Inhibitor
CYP 2C19 Substrate: Non-Substrate
CYP 2C9 Inhibitor: Non-Inhibitor
CYP 2C9 Substrate: Non-Substrate
CYP 2D6 Inhibitor: Non-Inhibitor
CYP 2D6 Substrate: Substrate
CYP 3A4 Inhibitor: Non-Inhibitor
CYP 3A4 Substrate: Non-Substrate
OATP1B1: Non-Inhibitor
OATP1B3: Non-Inhibitor

Excretion

Clearance: 4.02
Organic Cation Transporter 2: Non-Inhibitor
Half-Life of Drug: -

Toxicity

General Properties

Boiling Point: 366.73
Hydration Free Energy: -5.61
Log(D) at pH=7.4: 4.57
Log(P): 6.17
Log S: -5.48
Log(Vapor Pressure): -6.98
Melting Point: 86.99
pKa Acid: 11.0
pKa Basic: 7.02

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Raucaffricine-O-beta-D-glucosidase	Q9SPP9	RG1_RAUSE	Rauvolfia serpentina	3	0.7849
Sodium/potassium-transporting ATPase subunit alpha	Q4H132	Q4H132_SQUAC	Squalus acanthias	2	0.7788
Lysosomal acid glucosylceramidase	P04062	GLCM_HUMAN	Homo sapiens	3	0.7756
Phosphotriesterase	Q5KZU5	Q5KZU5_GEOKA	Geobacillus kaustophilus	2	0.7601
Pentaerythritol tetranitrate reductase	P71278	P71278_ENTCL	Enterobacter cloacae	2	0.7576
Genome polyprotein	O92972	POLG_HCVJ4	Hepatitis C virus genotype 1b	2	0.7539
Pentaerythritol tetranitrate reductase	P71278	P71278_ENTCL	Enterobacter cloacae	2	0.7347
Transcriptional activator, LuxR/UhpA family of regulators	Q7NQP7	Q7NQP7_CHRVO	Chromobacterium violaceum	2	0.7314
Quorum-sensing transcriptional activator	Q8XBD0	Q8XBD0_ECO57	Escherichia coli O157:H7	2	0.7290
Vitamin D-binding protein	P02774	VTDB_HUMAN	Homo sapiens	2	0.7277
Sex hormone-binding globulin	P04278	SHBG_HUMAN	Homo sapiens	2	0.7257
Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	Q0QF01	SDHA_PIG	Sus scrofa	2	0.7241
Cytochrome P450	Q93H81	Q93H81_STRAX	Streptomyces avermitilis	2	0.7216
Methionine aminopeptidase 2	P9WK19	MAP12_MYCTU	Mycobacterium tuberculosis	2	0.7184
thiamine diphosphokinase	Q82ZE3	Q82ZE3_ENTFA	Enterococcus faecalis	2	0.7181
Methionine aminopeptidase 1	P53582	MAP11_HUMAN	Homo sapiens	2	0.7044
Carnitine O-acetyltransferase	P47934	CACP_MOUSE	Mus musculus	2	0.7035
Cytochrome P450 monooxygenase PikC	O87605	PIKC_STRVZ	Streptomyces venezuelae	2	0.7004