Phyto4Health

Icosa-5,8,11,14-Tetraynoic Acid

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL458328
PubChem: 1780
IUPAC: icosa-5,8,11,14-tetraynoic acid
Standard InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
Standard InChI Key: MGLDCXPLYOWQRP-UHFFFAOYSA-N
SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O

Molecular propeties
AlogP: 4.01
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 0
Molecular Weight: 296.18
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.55
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PericarpiumCitrus unshiu

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency28183.8 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency28183.8 nMATP-dependent DNA helicase Q1P46063
Potency1122 nMATP-dependent DNA helicase Q1P46063
Potency15848.9 nMLysine-specific demethylase 4D-likeB2RXH2
Potency12589.3 nMSurvival motor neuron proteinQ16637
Potency631 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency79432.8 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency10000 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
IC50108803 nMApoptosis regulator Bcl-XQ07817
Potency28183.8 nMMicrotubule-associated protein tauP10636
Potency19952.6 nMMicrotubule-associated protein tauP10636
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
IC50441.49 nMInduced myeloid leukemia cell differentiation protein Mcl-1Q07820
IC5015400 nMProtein-tyrosine phosphatase LC-PTPP35236
Potency3162.3 nMArachidonate 12-lipoxygenaseP18054
Potency28183.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
IC50100000 nMGlyceraldehyde-3-phosphate dehydrogenase liverP04406
Potency12589.3 nMBloom syndrome proteinP54132
Potency1122 nMDNA polymerase betaP06746
Potency2238.7 nMHistone acetyltransferase GCN5Q92830
Potency10000 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency3981.1 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency29092.9 nMGemininO75496