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	Glyceryl palmitate
	Molecular Formula	C19H38O4
	IUPAC Name*	2,3-dihydroxypropyl hexadecanoate
	SMILES	CCCCCCCCCCCCCCCC(=O)OCC(CO)O
	InChI	InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
	InChIKey	QHZLMUACJMDIAE-UHFFFAOYSA-N
	Synonyms	542-44-9; Monopalmitin; 1-Monopalmitin; 1-Palmitoyl-rac-glycerol; GLYCERYL PALMITATE; 2,3-dihydroxypropyl hexadecanoate; 1-Palmitoylglycerol; 2,3-Dihydroxypropyl palmitate; Glycerol 1-monopalmitate; Glycerol 1-palmitate; Glycerol 3-palmitate; 1-Monopalmitoylglycerol; Palmitin, 1-mono-; 19670-51-0; DL-alpha-Palmitin; alpha-Monopalmitin; Hexadecanoic acid, 2,3-dihydroxypropyl ester; 1-Monohexadecanoyl-rac-glycerol; .alpha.-Monopalmitin; L-alpha-Palmitin; 26657-96-5; Glycerides, C16-22; 1-hexadecanoyl-rac-glycerol; Palmitic acid .alpha.-monoglyceride; 1-Glyceryl monohexadecanoate; glyceryl 1-palmitate; Palmitic acid alpha-monoglyceride; Glycerol palmitate; 1-Glycerol hexadecanoate; Glyceryl monopalmitate; NSC 404240; MG(16:0/0:0/0:0)[rac]; U9H9OM3S75; CHEBI:69081; NSC404240; NSC-404240; 68002-70-0; 1-palmitoyl-glycerol; MG(16:0); monopalmitin-1-glyceride; 1-Monohexadecanoylglycerol; glycerol 1-monohexadecanoate; rac-1-Palmitoylglycerol; 3-Palmitoyl-rac-glycerol; rac-Glycerol 1-palmitate; Hexadecanoic acid, monoester with 1,2,3-propanetriol; UNII-U9H9OM3S75; Palmitin, 1-mono; (S)-2,3-Dihydroxypropyl palmitate; (1)-2,3-Dihydroxypropyl palmitate; EINECS 208-812-9; EINECS 243-218-3; EINECS 251-283-4; EINECS 268-083-8; D,L-alpha-Palmitin; (+-)-2,3-dihydroxypropyl palmitate; Glycerol monopalmitate; 1-hexadecanoylglycerol; rac-alpha-monopalmitin; rac-glyceryl palmitate; (+-)-2,3-Dihydroxypropyl hexadecanoate; 1-Monopalmitate Glycerol; (+-)-alpha-monopalmitin; (+-)-glyceryl palmitate; DL-1-MONOPALMITIN; (+/-)-1-monopalmitin; Glycerol .alpha.-palmitate; rac-1-monopalmitoylglycerol; EC 268-083-8; Glycerol alpha-Monopalmitate; rac-glycerol 1-monopalmitate; SCHEMBL74863; (+-)--glycerol 1-palmitate; (+-)-1-monopalmitoylglycerol; DL-alpha-Palmitin, >=99%; (+-)-glycerol 1-monopalmitate; CHEMBL1078140; CHEBI:75811; DTXSID00891470; rac-2,3-dihydroxypropyl palmitate; (.+/-.)-1-Hexadecanoylglycerol; AMY39945; BCP30618; MAG 16:0; LMGL01010001; MFCD00042734; rac-palmitic acid alpha-monoglyceride; rac-2,3-dihydroxypropyl hexadecanoate; AKOS015902112; (+/-)-1-HEXADECANOYLGLYCEROL; CCG-214232; SB48400; (+-)-palmitic acid alpha-monoglyceride; (+/-)-1-O-HEXADECANOYLGLYCEROL; Hexadecanoic acid,3-dihydroxypropyl ester; NCGC00186665-01; AS-49753; (.+/-.)-2,3-Dihydroxypropyl hexadecanoate; FT-0673487; FT-0673489; FT-0696902; FT-0699567; G0083; L10008; P-1125; A870508; SR-05000002594; J-012718; SR-05000002594-1; 2,3-Dihydroxypropyl hexadecanoate(Chunks or pellets); BRD-A80928489-001-01-0; Q27887716; 1-Monopalmitin;Glyceryl palmitate ;1-Palmitoyl-rac-glycerol;1-Palmitoylglycerol
	CAS	542-44-9
	PubChem CID	14900
	ChEMBL ID	CHEMBL1078140

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Lipids and lipid-like mol Class: Glycerolipids Subclass: Monoradylglycerols Direct Parent: 1-monoacylglycerols	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:	330.5	ALogp:	6.3
HBD:	2	HBA:	4
Rotatable Bonds:	18	Lipinski's rule of five:	Rejected
Polar Surface Area:	66.8	Aromatic Rings:	0
Heavy Atoms:	23	QED Weighted:	0.294

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-4.815	MDCK Permeability:	0.00003200
Pgp-inhibitor:	0.062	Pgp-substrate:	0.862
Human Intestinal Absorption (HIA):	0.011	20% Bioavailability (F20%):	0.926
30% Bioavailability (F30%):	0.976

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.127	Plasma Protein Binding (PPB):	97.23%
Volume Distribution (VD):	0.701	Fu:	1.67%

ADMET: Metabolism

CYP1A2-inhibitor:	0.511	CYP1A2-substrate:	0.169
CYP2C19-inhibitor:	0.306	CYP2C19-substrate:	0.056
CYP2C9-inhibitor:	0.294	CYP2C9-substrate:	0.887
CYP2D6-inhibitor:	0.012	CYP2D6-substrate:	0.054
CYP3A4-inhibitor:	0.403	CYP3A4-substrate:	0.063

ADMET: Excretion

Clearance (CL):

8.172

Half-life (T1/2):

0.648

ADMET: Toxicity

hERG Blockers:	0.225	Human Hepatotoxicity (H-HT):	0.025
Drug-inuced Liver Injury (DILI):	0.029	AMES Toxicity:	0.023
Rat Oral Acute Toxicity:	0.019	Maximum Recommended Daily Dose:	0.011
Skin Sensitization:	0.931	Carcinogencity:	0.089
Eye Corrosion:	0.007	Eye Irritation:	0.134
Respiratory Toxicity:	0.329

*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
ENC001700		0.766			D07ILQ		0.667
ENC000873		0.757			D0O1PH		0.523
ENC005019		0.747			D00AOJ		0.517
ENC000419		0.743			D0Z5SM		0.506
ENC000575		0.736			D00FGR		0.474
ENC000781		0.718			D00MLW		0.447
ENC000258		0.707			D05ATI		0.436
ENC000271		0.700			D00STJ		0.398
ENC000496		0.694			D0Z1QC		0.382
ENC001234		0.689			D0P1RL		0.374

*Note: the compound similarity was calculated by RDKIT.