Boletinin J

Details

• Internal ID: 60e2b69c-60d3-47cf-ad7f-0fc846a0ad38
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (2E,6E,10E,14E)-16-[(E)-3-carboxy-2-methylprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
• InChI: InChI=1S/C25H36O6/c1-18(9-6-10-19(2)13-8-14-21(4)24(28)29)11-7-12-20(3)15-16-31-25(30)22(5)17-23(26)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3,(H,26,27)(H,28,29)/b18-11+,19-10+,20-15+,21-14+,22-17+
• InChI Key: RGDGFPUBWJTQHJ-HGJUBKMSSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₆O₆
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.25118886 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: 6.00

Synonyms

• CHEMBL471069

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	87.85%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.57%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.23%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.44%	96.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.99%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.02%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	82.99%	94.73%
CHEMBL340	P08684	Cytochrome P450 3A4	80.15%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11362497
• LOTUS: LTS0191272
• wikiData: Q77372769