Dendryphiellic acid B

Details

• Internal ID: 789facb8-2d30-409e-a9e7-ccfe38d1116b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: (2E,4E,6S)-8-hydroxy-6-methylocta-2,4-dienoic acid
• InChI: InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m1/s1
• InChI Key: KFHQGKGXRZPBOB-YFIBRCQFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.21 g/mol
• Exact Mass: 170.094294304 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.20

Synonyms

• 8-hydroxy-6S-methyl-2E,4E-octadienoic acid
• (2E,4E,6S)-8-hydroxy-6-methyl-octa-2,4-dienoic acid
• CHEBI:184454
• LMFA01020399
• (2E,4E,6S)-8-hydroxy-6-methylocta-2,4-dienoic acid

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	89.98%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.29%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	84.81%	83.82%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	84.64%	96.47%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.53%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.15%	93.56%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	81.14%	98.75%
CHEMBL2581	P07339	Cathepsin D	80.87%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 96009607
• LOTUS: LTS0074456
• wikiData: Q76808960