Details of the Drug

General Information of Drug (ID: DM802V7)

Drug Name
Syringic Acid
Synonyms
SYRINGIC ACID; 530-57-4; 4-Hydroxy-3,5-dimethoxybenzoic acid; 3,5-Dimethoxy-4-hydroxybenzoic acid; Cedar acid; Gallic acid 3,5-dimethyl ether; Benzoic acid, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-hydroxybenzyl acid; UNII-E390O181H5; NSC 2129; EINECS 208-486-8; 4-Hydroxy-3,5-dimethoxy-benzoic acid; BRN 2115262; CHEMBL1414; AI3-24376; CHEBI:68329; JMSVCTWVEWCHDZ-UHFFFAOYSA-N; MFCD00002552; E390O181H5; Syringic acid, 97%; Syringlicacid; Syringicacid; PubChem2673; SpecPlus_000485; AC1L1VUN; Spectrum3_001866; Spectrum5_000963
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) 198.17
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H10O5
IUPAC Name
4-hydroxy-3,5-dimethoxybenzoic acid
Canonical SMILES
COC1=CC(=CC(=C1O)OC)C(=O)O
InChI
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKey
JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10742
ChEBI ID
CHEMBL1414
CAS Number
530-57-4
TTD ID
D0Q7DJ
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [1]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [1]
Carbonic anhydrase VI (CA-VI) TTCFSPE CAH6_HUMAN Inhibitor [1]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_HUMAN Inhibitor [1]
Carbonic anhydrase XIV (CA-XIV) TTEYTKG CAH14_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
FAS-associated death domain protein (FADD) OTV7GFHH FADD_HUMAN Protein Interaction/Cellular Processes [2]
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 [4]
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 [4]
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) OTDS5WAU PIN1_HUMAN Gene/Protein Processing [4]
Transcription factor p65 (RELA) OTUJP9CN TF65_HUMAN Gene/Protein Processing [4]
Ubiquitin-like-conjugating enzyme ATG3 (ATG3) OT28VBVK ATG3_HUMAN Gene/Protein Processing [3]
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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
Carbonic anhydrase IV (CA-IV) DTT CA4 1.58E-77 -2.02 -1.77
Carbonic anhydrase XII (CA-XII) DTT CA12 3.29E-21 1.27 1.02
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Carbonic anhydrase XIV (CA-XIV) DTT CA14 5.79E-07 -0.09 -0.16
Carbonic anhydrase VI (CA-VI) DTT CA6 3.64E-10 -0.17 -0.37
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Carbonic anhydrase IX (CA-IX) DTT CA9 1.12E-10 -0.03 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
2 Octyl syringate is preferentially cytotoxic to cancer cells via lysosomal membrane permeabilization and autophagic flux inhibition. Cell Biol Toxicol. 2023 Feb;39(1):183-199. doi: 10.1007/s10565-021-09653-6. Epub 2021 Sep 15.
3 In vitro and in vivo anticancer effects of syringic acid on colorectal cancer: Possible mechanistic view. Chem Biol Interact. 2021 Mar 1;337:109337. doi: 10.1016/j.cbi.2020.109337. Epub 2021 Feb 4.
4 Syringic acid regulates suppression of the STAT3/JNK/AKT pathway via inhibition of human ovarian teratoma cancer cell?(PA-1) growth-in vitro study. J Biochem Mol Toxicol. 2021 Jun;35(6):1-9. doi: 10.1002/jbt.22776. Epub 2021 Mar 23.