(2Z,5R,6Z,8R)-5,8-dihydroxydodeca-2,6-dienoic acid

Details

• Internal ID: 2d0ebe5e-3b51-4493-b464-ec9a5df2e7ad
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives
• IUPAC Name: (2Z,5R,6Z,8R)-5,8-dihydroxydodeca-2,6-dienoic acid
• InChI: InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h4,7-11,13-14H,2-3,5-6H2,1H3,(H,15,16)/b7-4-,9-8-/t10-,11-/m1/s1
• InChI Key: SRRJJGCCMGAZQX-DQCYCDIZSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₄
• Molecular Weight: 228.28 g/mol
• Exact Mass: 228.13615911 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 1.30

Synonyms

There are no found synonyms.

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
CHEMBL221	P23219	Cyclooxygenase-1	95.34%	90.17%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	94.67%	97.34%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.54%	99.17%
CHEMBL2581	P07339	Cathepsin D	91.00%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.62%	97.29%
CHEMBL3359	P21462	Formyl peptide receptor 1	87.97%	93.56%
CHEMBL1907	P15144	Aminopeptidase N	86.15%	93.31%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.77%	96.09%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	85.67%	96.00%
CHEMBL4227	P25090	Lipoxin A4 receptor	84.62%	100.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.38%	100.00%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	81.25%	91.81%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.21%	86.33%

Plants that contains it

• Aeollanthus buchnerianus

Cross-Links

• PubChem: 162889778
• LOTUS: LTS0128528
• wikiData: Q105259368