ChemFOnt: Showing chemical card for 10-Hydroxy-2-decenoic acid (CFc000223805)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:45:45 UTC

Chemfont ID

CFc000223805

Molecule Identification

Common Name

10-Hydroxy-2-decenoic acid

Definition

10-Hydroxy-2-decenoic acid, also known as hydroxydecine or 10-HDEC, belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review very few articles have been published on 10-Hydroxy-2-decenoic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
10-Hydroxy-2-decenoate	Generator
10-Hydroxy-2-decenoic acid, sodium salt	HMDB
10-Hydroxy-2-decenoic acid, (e)-isomer	HMDB
10-Hydroxy-2-decenoic acid, monosodium salt	HMDB
Hydroxydecine	HMDB
10-Hydroxy-2-decenoic acid, monopotassium salt	HMDB
10-HDEC	HMDB
10-Hydroxydec-2-enoate	HMDB
10-Hydroxy-2-decenoic acid	MeSH

Chemical Formula

C₁₀H₁₈O₃

Average Molecular Weight

186.251

Monoisotopic Molecular Weight

186.12559444

IUPAC Name

10-hydroxydec-2-enoic acid

Traditional Name

10-hydroxydec-2-enoic acid

CAS Registry Number

Not Available

SMILES

OCCCCCCCC=CC(O)=O

InChI Identifier

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)

InChI Key

QHBZHVUGQROELI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Medium-chain hydroxy acids and derivatives

Direct Parent

Medium-chain hydroxy acids and derivatives

Alternative Parents

Substituents

Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Straight chain fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Carbonyl group
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.99 g/L	ALOGPS
logP	2.37	ALOGPS
logP	2.15	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	5.03	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	52.5 m³·mol⁻¹	ChemAxon
Polarizability	21.99 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0244269

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

83806

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92837

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 10-Hydroxy-2-decenoic acid (CFc000223805)

MOL for CFc000223805 (10-Hydroxy-2-decenoic acid)

3D MOL for CFc000223805 (10-Hydroxy-2-decenoic acid)

3D SDF for CFc000223805 (10-Hydroxy-2-decenoic acid)

3D-SDF for CFc000223805 (10-Hydroxy-2-decenoic acid)

PDB for CFc000223805 (10-Hydroxy-2-decenoic acid)

3D PDB for CFc000223805 (10-Hydroxy-2-decenoic acid)

SMILES for CFc000223805 (10-Hydroxy-2-decenoic acid)

INCHI for CFc000223805 (10-Hydroxy-2-decenoic acid)

Structure for CFc000223805 (10-Hydroxy-2-decenoic acid)

3D Structure for CFc000223805 (10-Hydroxy-2-decenoic acid)