8-Nonynoic acid

Details

Top
Internal ID 6c9448ff-4690-4975-8c0a-197715f04346
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name non-8-ynoic acid
SMILES (Canonical) C#CCCCCCCC(=O)O
SMILES (Isomeric) C#CCCCCCCC(=O)O
InChI InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)
InChI Key NLRIJHGYFNZMGB-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

Top
Molecular Formula C9H14O2
Molecular Weight 154.21 g/mol
Exact Mass 154.099379685 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.20

Synonyms

Top
30964-01-3
non-8-ynoic acid
8-NONYNOICACID
MFCD00671368
LCZC1161
SCHEMBL2985078
DTXSID40184954
CHEBI:137768
LMFA01030509
AT18741
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 8-Nonynoic acid

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 92.43% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.11% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 91.78% 90.17%
CHEMBL2581 P07339 Cathepsin D 85.98% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 85.35% 89.63%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.40% 91.11%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 82.75% 92.26%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Hibiscus rosa-sinensis

Cross-Links

Top
PubChem 35698
LOTUS LTS0169528
wikiData Q83055899