Details of the Drug

General Information of Drug (ID: DMN7S4L)

Drug Name
OXYRESVERATROL
Synonyms
Oxyresveratrol; 29700-22-9; Tetrahydroxystilbene; (E)-4-(3,5-Dihydroxystyryl)benzene-1,3-diol; UNII-6V071CP5CR; trans-oxyresveratrol; 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol; OXYLRESVERATROL; 4721-07-7; 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol; CHEMBL43065; CHEBI:7870; 6V071CP5CR; 2,3',4,5'-Tetrahydroxystilbene; AK158555; 4-(3,5-Dihydroxystyryl)benzene-1,3-diol; J-501984; 4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol; 1,3-Benzenediol, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-; Puag-haad
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.24
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H12O4
IUPAC Name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Canonical SMILES
C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
InChIKey
PDHAOJSHSJQANO-OWOJBTEDSA-N
Cross-matching ID
PubChem CID
5281717
ChEBI ID
CHEMBL43065
CAS Number
29700-22-9
TTD ID
D06ZRX
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Acetyl-CoA carboxylase 1 (ACACA) OT5CQPZY ACACA_HUMAN Post-Translational Modifications [2]
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) OTI862QH CPT1A_HUMAN Gene/Protein Processing [2]
Claudin-1 (CLDN1) OT27KV99 CLD1_HUMAN Gene/Protein Processing [3]
Homeobox protein CDX-2 (CDX2) OTCG4TSY CDX2_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 14 (MAPK14) OT5TCO3O MK14_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 8 (MAPK8) OTEREYS5 MK08_HUMAN Gene/Protein Processing [3]
Mucin-2 (MUC2) OT3X4QVX MUC2_HUMAN Gene/Protein Processing [4]
Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 (NMNAT1) OTGJH9XH NMNA1_HUMAN Gene/Protein Processing [4]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Chemical transformations of oxyresveratrol (trans-2,4,3',5'-tetrahydroxystilbene) into a potent tyrosinase inhibitor and a strong cytotoxic agent. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5650-3.
2 Oxyresveratrol ameliorates nonalcoholic fatty liver disease by regulating hepatic lipogenesis and fatty acid oxidation through liver kinase B1 and AMP-activated protein kinase. Chem Biol Interact. 2018 Jun 1;289:68-74. doi: 10.1016/j.cbi.2018.04.023. Epub 2018 Apr 24.
3 Oxyresveratrol improves tight junction integrity through the PKC and MAPK signaling pathways in Caco-2?cells. Food Chem Toxicol. 2017 Oct;108(Pt A):203-213. doi: 10.1016/j.fct.2017.08.002. Epub 2017 Aug 2.
4 Oxyresveratrol stimulates mucin production in an NAD+-dependent manner in human intestinal goblet cells. Food Chem Toxicol. 2018 Aug;118:880-888.