Details of the Drug

General Information of Drug (ID: DMXPQ1A)

Drug Name

SMND-309

Synonyms

SMND-309; 1065559-56-9; DTXSID50669469; 4051AH; ZINC95644681; AKOS030526235; CS-0559; HY-13056; W-5697; (E)-2-[2,3-Dihydroxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; (2E)-2-{6-[(E)-2-Carboxyethenyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C18H14O8
Canonical SMILES: C1=CC(=C(C=C1C=C(C2=C(C=CC(=C2O)O)C=CC(=O)O)C(=O)O)O)O
InChI: 1S/C18H14O8/c19-12-4-1-9(8-14(12)21)7-11(18(25)26)16-10(3-6-15(22)23)2-5-13(20)17(16)24/h1-8,19-21,24H,(H,22,23)(H,25,26)/b6-3+,11-7+
InChIKey: OAHRXWZJURTMHG-ACIWFXKJSA-N

Cross-matching ID

PubChem CID: 45138954
CAS Number: 1065559-56-9
TTD ID: D0E7FG

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.