Details of the Drug

General Information of Drug (ID: DMY0A9E)

Drug Name

Hydroxycitric acid

Synonyms

SCHEMBL4050699; AKOS021667799; AKOS001495053; ES-2021; MCULE-2991610180; EU-0054396; SR-01000546484; SR-01000546484-1

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): 1

Molecular Weight (mw)

208.12

Logarithm of the Partition Coefficient (xlogp)

-2.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C6H8O8
IUPAC Name: 1,2-dihydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES: C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey: ZMJBYMUCKBYSCP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pancreatic alpha-amylase (AMY2A)	TTCGSZ4	AMYP_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Chemistry, physiological properties, and microbial production of hydroxycitric acid. Appl Microbiol Biotechnol. 2007 Jul;75(5):977-82.