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	2-(4-Hydroxyphenyl)ethanol
	Molecular Formula	C8H10O2
	IUPAC Name*	4-(2-hydroxyethyl)phenol
	SMILES	C1=CC(=CC=C1CCO)O
	InChI	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
	InChIKey	YCCILVSKPBXVIP-UHFFFAOYSA-N
	Synonyms	2-(4-Hydroxyphenyl)ethanol; Tyrosol; 501-94-0; 4-Hydroxyphenethyl alcohol; 4-(2-Hydroxyethyl)phenol; 4-Hydroxyphenylethanol; 4-Hydroxybenzeneethanol; p-Hydroxyphenethyl alcohol; Benzeneethanol, 4-hydroxy-; p-Tyrosol; 4-Hydroxyphenylethyl alcohol; 2-(4-Hydroxyphenyl)ethyl Alcohol; p-Thyrosol; MFCD00002902; NSC 59876; 2-(P-HYDROXYPHENYL)ETHANOL; Metoprolol IMpurity 07; 4-hydroxy-Benzeneethanol; 1AK4MU3SNX; p-Hydroxyphenylethyl alcohol; 4-(2-Hydroxy-ethyl)-phenol; CHEMBL53566; CHEBI:1879; NSC-59876; p-hydroxyphenylethanol; Tyrosol C; SMR000857159; p-HPEA; 4-hydroxyphenethylalcohol; EINECS 207-930-8; UNII-1AK4MU3SNX; beta-(4-Hydroxyphenyl)ethanol; 4-tyrosol; YRL; Tyrosol ,(S); 4-hydroxybenzenethanol; 4-(Hydroxyethyl)phenol; p-Hydroxy-benzeneethanol; TYROSOL [MI]; b-(p-Hydroxyphenyl)ethanol; bmse000173; b-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenylmethylcarbinol; 2-(p-hydroxyphenyl) ethanol; SCHEMBL43838; (4-Hydroxyphenethyl) alcohol; 2-(4-hydroxyphenyl) ethanol; 2-(4-hydroxyphenyl)-ethanol; beta-(p-Hydroxyphenyl)ethanol; MLS001332423; MLS001332424; Phenethyl alcohol, p-hydroxy-; Ethanol, 2-(4-hydroxyphenyl); DTXSID8060111; SCHEMBL10620528; .beta.-(p-Hydroxyphenyl)ethanol; 2-(4-Hydroxyphenyl)-1-ethanol; Ethanol, 2-(4-hydroxyphenyl)-; .beta.-(4-Hydroxyphenyl)ethanol; HMS2230E12; ZINC164581; 2-(4-Hydroxyphenyl)ethanol, 98%; BCP34277; HY-N0474; NSC59876; STR02735; HYDROXYPHENETHYL ALCOHOL, P-; BDBM50339585; s3773; AKOS000280287; AC-2493; CCG-266147; CS-W019782; KS-5274; NCGC00246994-01; SY001653; DB-019455; AM20060146; FT-0608647; H0720; A14486; C06044; EN300-116733; 2-(4-Hydroxyphenyl)ethanol, analytical standard; NSC 59876; p-HPEA;4-Hydroxyphenethyl alcohol; Q402607; METOPROLOL TARTRATE IMPURITY G [EP IMPURITY]; METOPROLOL SUCCINATE IMPURITY G [EP IMPURITY]; TYROSOL (CONSTITUENT OF RHODIOLA ROSEA) [DSC]; F0001-1309; Z1250886919; 947D0361-23C6-4863-8346-22AB05108AC5; 4-hydroxy-Benzeneethanol;4-Hydroxyphenylethanol;beta-(4-Hydroxyphenyl)ethanol
	CAS	501-94-0
	PubChem CID	10393
	ChEMBL ID	CHEMBL53566

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Benzenoids Class: Phenols Subclass: Tyrosols and derivatives Direct Parent: Tyrosols	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:	138.16	ALogp:	0.4
HBD:	2	HBA:	2
Rotatable Bonds:	2	Lipinski's rule of five:	Accepted
Polar Surface Area:	40.5	Aromatic Rings:	1
Heavy Atoms:	10	QED Weighted:	0.647

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-4.252	MDCK Permeability:	0.00001650
Pgp-inhibitor:	0	Pgp-substrate:	0.003
Human Intestinal Absorption (HIA):	0.122	20% Bioavailability (F20%):	0.986
30% Bioavailability (F30%):	0.995

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.128	Plasma Protein Binding (PPB):	32.60%
Volume Distribution (VD):	3.17	Fu:	62.37%

ADMET: Metabolism

CYP1A2-inhibitor:	0.512	CYP1A2-substrate:	0.375
CYP2C19-inhibitor:	0.245	CYP2C19-substrate:	0.251
CYP2C9-inhibitor:	0.056	CYP2C9-substrate:	0.791
CYP2D6-inhibitor:	0.116	CYP2D6-substrate:	0.638
CYP3A4-inhibitor:	0.045	CYP3A4-substrate:	0.288

ADMET: Excretion

Clearance (CL):

13.4

Half-life (T1/2):

0.881

ADMET: Toxicity

hERG Blockers:	0.038	Human Hepatotoxicity (H-HT):	0.048
Drug-inuced Liver Injury (DILI):	0.035	AMES Toxicity:	0.103
Rat Oral Acute Toxicity:	0.337	Maximum Recommended Daily Dose:	0.019
Skin Sensitization:	0.87	Carcinogencity:	0.607
Eye Corrosion:	0.92	Eye Irritation:	0.993
Respiratory Toxicity:	0.038

*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
ENC006122		0.600			D03UOT		0.515
ENC000006		0.568			D0W1RY		0.513
ENC000870		0.561			D01CRB		0.500
ENC001422		0.561			D0B3QM		0.477
ENC000740		0.556			D0S2BV		0.400
ENC000676		0.556			D00LFB		0.381
ENC000756		0.556			D0U5QK		0.381
ENC005811		0.533			D0J7RK		0.364
ENC005812		0.533			D0T7OW		0.349
ENC000774		0.526			D06KYN		0.348

*Note: the compound similarity was calculated by RDKIT.