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	(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
	Molecular Formula	C15H12O5
	IUPAC Name*	(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
	SMILES	C1[C@@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
	InChI	InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
	InChIKey	FTVWIRXFELQLPI-CYBMUJFWSA-N
	Synonyms	17654-19-2; (R)-naringenin; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; (2R)-naringenin; naringenin; R-naringenin; (+)-naringenin; R-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; MFCD03265520; (R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; ZINC1785; SCHEMBL17166263; CHEBI:50201; (2R)-5,7,4'-trihydroxyflavone; HMS3468H18; (2R)-4',5,7-trihydroxyflavanone; ALBB-015405; BBL010488; STK801623; AKOS004119880; (2R)-4',5,7-trihydroxyflavan-4-one; VS-02527; BB 0261506; CS-0207596; E82461; EN300-7380656; Q27121979; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R)-
	CAS	NA
	PubChem CID	667495
	ChEMBL ID	NA

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Phenylpropanoids and poly Class: Flavonoids Subclass: Flavans Direct Parent: Flavanones	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:	272.25	ALogp:	2.4
HBD:	3	HBA:	5
Rotatable Bonds:	1	Lipinski's rule of five:	Accepted
Polar Surface Area:	87.0	Aromatic Rings:	3
Heavy Atoms:	20	QED Weighted:	0.741

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-4.918	MDCK Permeability:	0.00000645
Pgp-inhibitor:	0.005	Pgp-substrate:	0.001
Human Intestinal Absorption (HIA):	0.007	20% Bioavailability (F20%):	0.982
30% Bioavailability (F30%):	0.996

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.04	Plasma Protein Binding (PPB):	93.61%
Volume Distribution (VD):	0.567	Fu:	6.23%

ADMET: Metabolism

CYP1A2-inhibitor:	0.941	CYP1A2-substrate:	0.137
CYP2C19-inhibitor:	0.836	CYP2C19-substrate:	0.059
CYP2C9-inhibitor:	0.85	CYP2C9-substrate:	0.954
CYP2D6-inhibitor:	0.758	CYP2D6-substrate:	0.713
CYP3A4-inhibitor:	0.834	CYP3A4-substrate:	0.148

ADMET: Excretion

Clearance (CL):

15.779

Half-life (T1/2):

0.807

ADMET: Toxicity

hERG Blockers:	0.065	Human Hepatotoxicity (H-HT):	0.353
Drug-inuced Liver Injury (DILI):	0.938	AMES Toxicity:	0.378
Rat Oral Acute Toxicity:	0.715	Maximum Recommended Daily Dose:	0.716
Skin Sensitization:	0.915	Carcinogencity:	0.668
Eye Corrosion:	0.007	Eye Irritation:	0.945
Respiratory Toxicity:	0.629

*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
ENC001068		0.701			D07MGA		0.671
ENC000700		0.671			D0R6BI		0.402
ENC000940		0.541			D0AZ8C		0.375
ENC005245		0.506			D04AIT		0.357
ENC001550		0.474			D06TJJ		0.333
ENC001533		0.474			D0K8KX		0.333
ENC001548		0.462			D04XEG		0.330
ENC000320		0.443			D03UOT		0.322
ENC000699		0.443			D0I9HF		0.318
ENC002499		0.434			D0J7RK		0.297

*Note: the compound similarity was calculated by RDKIT.