ChemFOnt: Showing chemical card for (E)-10-Hydroxy-8-decenoic acid (CFc000020426)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:11:48 UTC

Chemfont ID

CFc000020426

Molecule Identification

Common Name

(E)-10-Hydroxy-8-decenoic acid

Definition

(E)-10-Hydroxy-8-decenoic acid is found in mushrooms. (E)-10-Hydroxy-8-decenoic acid is isolated from the injured fruit bodies of Cantharellus tubaeformis (funnel chanterelle).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(e)-10-Hydroxy-8-decenoate	Generator
10-Hydroxy-8-decenoic acid, (e)-isomer	HMDB
10-Hydroxy-8E-decenoate	HMDB
10-Hydroxy-8-decenoic acid	HMDB

Chemical Formula

C₁₀H₁₈O₃

Average Molecular Weight

186.2481

Monoisotopic Molecular Weight

186.125594442

IUPAC Name

(8E)-10-hydroxydec-8-enoic acid

Traditional Name

(8E)-10-hydroxydec-8-enoic acid

CAS Registry Number

106541-97-3

SMILES

OC\C=C\CCCCCCC(O)=O

InChI Identifier

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5,7,11H,1-4,6,8-9H2,(H,12,13)/b7-5+

InChI Key

RCXJFGCVOBRFEH-FNORWQNLSA-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

Hydroxy fatty acids (LMFA01050160 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039533)
Cytoplasm (HMDB: HMDB0039533)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039533)

Source

Exogenous

Exogenous (HMDB: HMDB0039533)

Food

Food (HMDB: HMDB0039533)

Plant (HMDB: HMDB0039533)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039533)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	1.6 g/L	ALOGPS
logP	2.27	ALOGPS
logP	1.95	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	4.89	ChemAxon
pKa (Strongest Basic)	-2.3	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	52.37 m³·mol⁻¹	ChemAxon
Polarizability	21.89 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

HMDB0039533

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB019149

KNApSAcK ID

Not Available

Chemspider ID

4472166

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5312741

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (E)-10-Hydroxy-8-decenoic acid (CFc000020426)

MOL for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

3D MOL for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

3D SDF for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

3D-SDF for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

PDB for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

3D PDB for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

SMILES for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

INCHI for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

Structure for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)

3D Structure for CFc000020426 ((E)-10-Hydroxy-8-decenoic acid)