Colletorin D acid

Details

• Internal ID: c1145c2f-9f1a-4b93-bebc-36e4b4da00fe
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: 2,4-dihydroxy-6-methyl-3-(3-methylbut-2-enyl)benzoic acid
• InChI: InChI=1S/C13H16O4/c1-7(2)4-5-9-10(14)6-8(3)11(12(9)15)13(16)17/h4,6,14-15H,5H2,1-3H3,(H,16,17)
• InChI Key: FZLIGQLGBRLYQX-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26 g/mol
• Exact Mass: 236.10485899 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 3.60

Synonyms

• CHEMBL4575306
• 2,4-dihydroxy-6-methyl-3-(3-methyl-2-butenyl)benzoic 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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.81%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	93.61%	94.73%
CHEMBL2581	P07339	Cathepsin D	90.30%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	90.29%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.44%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.47%	86.33%
CHEMBL3194	P02766	Transthyretin	84.34%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.17%	99.15%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.96%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.69%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.60%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.12%	99.17%
CHEMBL4208	P20618	Proteasome component C5	80.03%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 129686584
• LOTUS: LTS0098499
• wikiData: Q104166927