Details of the Drug

General Information of Drug (ID: DMD3BEQ)

Drug Name

ERIODICTYOL

Synonyms

(+/-)-Eriodictyol; 4049-38-1; MLS000877024; 5,7,3',4'-Tetrahydroxyflavanone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one; SMR000440624; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one; Eriodictyol, (+/-)-; Eriodicytol; ERIODYCTOL; Flavanone, 3',4',5,7-tetrahydroxy-; AC1L1WLT

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

288.25

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C15H12O6
IUPAC Name: (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Canonical SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChI: InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
InChIKey: SBHXYTNGIZCORC-ZDUSSCGKSA-N

Cross-matching ID

PubChem CID: 440735
ChEBI ID: CHEBI:28412
CAS Number: 552-58-9
TTD ID: D08AIJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytochrome P450 1B1 (CYP1B1)	TTI84H7	CP1B1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cystine/glutamate transporter (SLC7A11)	OTKJ6PXW	XCT_HUMAN	Gene/Protein Processing	[2]
Cytochrome c (CYCS)	OTBFALJD	CYC_HUMAN	Gene/Protein Processing	[2]
Glutathione S-transferase P (GSTP1)	OTLP0A0Y	GSTP1_HUMAN	Gene/Protein Processing	[3]
Heme oxygenase 1 (HMOX1)	OTC1W6UX	HMOX1_HUMAN	Gene/Protein Processing	[2]
Multidrug resistance-associated protein 1 (ABCC1)	OTGUN89S	MRP1_HUMAN	Gene/Protein Processing	[4]
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Gene/Protein Processing	[2]
Nuclear factor erythroid 2-related factor 2 (NFE2L2)	OT0HENJ5	NF2L2_HUMAN	Gene/Protein Processing	[2]
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4)	OTRAFFX2	GPX4_HUMAN	Gene/Protein Processing	[2]
Serine/threonine-protein kinase TBK1 (TBK1)	OT1P06NV	TBK1_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
2	Eriodictyol regulated ferroptosis, mitochondrial dysfunction, and cell viability via Nrf2/HO-1/NQO1 signaling pathway in ovarian cancer cells. J Biochem Mol Toxicol. 2023 Jul;37(7):e23368. doi: 10.1002/jbt.23368. Epub 2023 Apr 5.
3	Structural requirements for the flavonoid-mediated modulation of glutathione S-transferase P1-1 and GS-X pump activity in MCF7 breast cancer cells. Biochem Pharmacol. 2004 Apr 15;67(8):1607-17.
4	Quantitative structure activity relationship studies on the flavonoid mediated inhibition of multidrug resistance proteins 1 and 2. Biochem Pharmacol. 2005 Feb 15;69(4):699-708. doi: 10.1016/j.bcp.2004.11.002. Epub 2004 Dec 23.
5	Suppression of the TRIF-dependent signaling pathway of Toll-like receptors by luteolin. Biochem Pharmacol. 2009 Apr 15;77(8):1391-400. doi: 10.1016/j.bcp.2009.01.009. Epub 2009 Jan 23.