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	Luteolin
	Molecular Formula	C15H10O6
	IUPAC Name*	2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
	SMILES	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
	InChI	InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
	InChIKey	IQPNAANSBPBGFQ-UHFFFAOYSA-N
	Synonyms	luteolin; 491-70-3; Digitoflavone; Luteolol; 3',4',5,7-Tetrahydroxyflavone; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Flacitran; Luteoline; Salifazide; Weld Lake; Yama kariyasu; Cyanidenon 1470; Bismite; 5,7,3',4'-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; C.I. Natural Yellow 2; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; Daphneflavonol; Flavopurpol; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Cyanidenon-1470; BRN 0292084; MFCD00017309; KUX1ZNC9J2; CHEMBL151; FLAVONE, 3',4',5,7-TETRAHYDROXY-; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 1318-21-4; SMR000326896; 7-Tetrahydroxyflavone; CCRIS 3790; SR-01000779333; EINECS 207-741-0; UNII-KUX1ZNC9J2; Argemexitin; C.I. 75590; 4dew; 4dgn; 4hkn; Luteolin,(S); LU2; Prestwick_122; LUTEOLIN [INCI]; LUTEOLIN [MI]; Prestwick0_000870; Prestwick1_000870; Prestwick2_000870; Prestwick3_000870; LUTEOLIN [WHO-DD]; BIDD:PXR0059; Lopac0_000660; Oprea1_849964; SCHEMBL20426; BSPBio_000919; Luteolin, analytical standard; MLS000697655; MLS000860038; MLS002154043; MLS006011917; BIDD:ER0122; SPBio_002840; BDBM7459; BPBio1_001011; GTPL5215; MEGxp0_000143; DTXSID4074988; ACon1_000223; cid_5280445; HMS1570N21; HMS2097N21; HMS2220C06; HMS3356L02; HMS3561N09; HMS3649N21; HMS3656A05; HMS3714N21; Luteolin, >=99.0% (TLC); BCP03511; HY-N0162; TNP00073; Luteolin, >=98% (TLC), powder; BBL027837; LMPK12110006; s2320; STK801923; ZINC18185774; AKOS002140588; AC-1125; BCP9000865; CCG-208309; CS-4611; DB15584; KS-5202; Luteolin 100 microg/mL in Acetonitrile; SMP2_000042; NCGC00016467-01; NCGC00016467-02; NCGC00016467-03; NCGC00016467-04; NCGC00016467-05; NCGC00016467-06; NCGC00016467-07; NCGC00016467-08; NCGC00016467-21; NCGC00142375-01; NCGC00142375-02; NCGC00142375-03; NCGC00179375-01; NCGC00179375-02; CAS-491-70-3; SY030155; BCP0726000198; FT-0600053; SW196433-3; T2682; 91L703; C01514; L 9283; S00110; EN300-1659559; A827664; Luteolin, primary pharmaceutical reference standard; Q415011; Q-100551; SR-01000779333-4; SR-01000779333-5; SR-01000779333-7; BRD-K05236810-001-05-9; 23A002A4-B47B-46CD-848C-65042EACF3FF; NCGC00142375-01,NCGC00142375-02; Z1741977179; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyrone-4-one; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one #; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
	CAS	491-70-3
	PubChem CID	5280445
	ChEMBL ID	CHEMBL151

*Note: the IUPAC Name was collected from PubChem.

Chemical Classification:	Kingdom: Organic compounds Superclass: Phenylpropanoids and poly Class: Flavonoids Subclass: Flavones Direct Parent: Flavones	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:	286.24	ALogp:	1.4
HBD:	4	HBA:	6
Rotatable Bonds:	1	Lipinski's rule of five:	Accepted
Polar Surface Area:	107.0	Aromatic Rings:	3
Heavy Atoms:	21	QED Weighted:	0.512

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability:	-5.028	MDCK Permeability:	0.00001000
Pgp-inhibitor:	0.004	Pgp-substrate:	0.274
Human Intestinal Absorption (HIA):	0.047	20% Bioavailability (F20%):	0.998
30% Bioavailability (F30%):	1

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.009	Plasma Protein Binding (PPB):	95.44%
Volume Distribution (VD):	0.533	Fu:	5.98%

ADMET: Metabolism

CYP1A2-inhibitor:	0.981	CYP1A2-substrate:	0.154
CYP2C19-inhibitor:	0.124	CYP2C19-substrate:	0.046
CYP2C9-inhibitor:	0.576	CYP2C9-substrate:	0.842
CYP2D6-inhibitor:	0.568	CYP2D6-substrate:	0.559
CYP3A4-inhibitor:	0.549	CYP3A4-substrate:	0.092

ADMET: Excretion

Clearance (CL):

8.146

Half-life (T1/2):

0.898

ADMET: Toxicity

hERG Blockers:	0.064	Human Hepatotoxicity (H-HT):	0.084
Drug-inuced Liver Injury (DILI):	0.905	AMES Toxicity:	0.536
Rat Oral Acute Toxicity:	0.046	Maximum Recommended Daily Dose:	0.741
Skin Sensitization:	0.946	Carcinogencity:	0.095
Eye Corrosion:	0.009	Eye Irritation:	0.944
Respiratory Toxicity:	0.22

*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
ENC001533		0.701			D04AIT		1.000
ENC001529		0.686			D0K8KX		0.686
ENC001548		0.568			D06GCK		0.460
ENC001751		0.550			D07MGA		0.368
ENC004389		0.549			D0U3YB		0.341
ENC001573		0.545			D0TC7C		0.312
ENC001575		0.495			D0AZ8C		0.311
ENC005391		0.494			D08LFZ		0.289
ENC002024		0.493			D00KRE		0.283
ENC002018		0.493			D06KYN		0.281

*Note: the compound similarity was calculated by RDKIT.