3,10-Dihydroxydecanoic acid

Details

• Internal ID: f449343c-04d2-408d-828b-a1ab7a1edb05
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives
• IUPAC Name: 3,10-dihydroxydecanoic acid
• InChI: InChI=1S/C10H20O4/c11-7-5-3-1-2-4-6-9(12)8-10(13)14/h9,11-12H,1-8H2,(H,13,14)
• InChI Key: WXCLDXYQUQDNDB-UHFFFAOYSA-N
• Popularity: 22 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀O₄
• Molecular Weight: 204.26 g/mol
• Exact Mass: 204.13615911 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 0.90

Synonyms

• RefChem:90555
• 3,10-Dihydroxydecanoate
• 762-05-0
• NH45AUS94M
• Decanoic acid, 3,10-dihydroxy-
• UNII-NH45AUS94M
• 3,10-dihy-droxydecanoic acid
• SCHEMBL9136460
• SCHEMBL18487145
• CHEBI:186714
• LMFA01050429
• SY311139
• Q15410162

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.59%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.78%	97.29%
CHEMBL2581	P07339	Cathepsin D	90.60%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.99%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.60%	91.11%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.37%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9859090
• LOTUS: LTS0221336
• wikiData: Q15410162