1,2-Dihydroxypropane-1,2,3-tricarboxylic acid

Details

• Internal ID: 04cdc3e3-f1e6-428d-a73c-3972845d2a32
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
• IUPAC Name: 1,2-dihydroxypropane-1,2,3-tricarboxylic acid
• SMILES (Canonical): C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O
• SMILES (Isomeric): 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)
• InChI Key: ZMJBYMUCKBYSCP-UHFFFAOYSA-N
• Popularity: 457 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₈O₈
• Molecular Weight: 208.12 g/mol
• Exact Mass: 208.02191721 g/mol
• Topological Polar Surface Area (TPSA): 152.00 Ų
• XlogP: -2.60

Synonyms

• 6205-14-7
• Hydroxycitrate
• 1,2-dihydroxypropane-1,2,3-tricarboxylic acid
• 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid
• Haes cpd
• Regulator
• 3-C-Carboxy-2-deoxypentaric acid
• 1,2-dihydroxypropane-1,2,3-tricarboxylicacid
• Super CitriMax HCA 600SXS
• GarciniaCambogiaExtract
• 3-Carboxy-2,3-dihydroxy-pentanedioic acid
• SCHEMBL108615
• CHEMBL2007728
• DTXSID80863711
• CHEBI:176344
• ZMJBYMUCKBYSCP-UHFFFAOYSA-N
• AMY33282
• HY-N1437
• AKOS015892847
• Pentaric acid, 3-C-carboxy-2-deoxy-
• NCGC00599719-01
• NCI60_037295
• CS-0016869
• FT-0654495
• 1,2,3-Propanetricarboxylic acid, 1,2-dihydroxy-
• A833552
• Q2823270
• (2R)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
• 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 8CI

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	92.67%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.82%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.89%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.19%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.38%	100.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.09%	85.14%

Plants that contains it

• Garcinia cowa
• Garcinia indica
• Garcinia oblongifolia

Cross-Links

• PubChem: 123908
• LOTUS: LTS0055780
• wikiData: Q2823270