2,6,10,14-Tetramethylhexadeca-2,6,10,14-tetraenedioic acid

Details

• Internal ID: c91b2723-a570-4b44-9869-545770c4b0db
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: 2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenedioic acid
• SMILES (Canonical): CC(=CCCC(=CC(=O)O)C)CCC=C(C)CCC=C(C)C(=O)O
• SMILES (Isomeric): CC(=CCCC(=CC(=O)O)C)CCC=C(C)CCC=C(C)C(=O)O
• InChI: InChI=1S/C20H30O4/c1-15(10-6-12-17(3)14-19(21)22)8-5-9-16(2)11-7-13-18(4)20(23)24/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)(H,23,24)
• InChI Key: HCVPUYBRWDQARC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.21440943 g/mol
• Topological Polar Surface Area (TPSA): 74.60 Ų
• XlogP: 5.50

Synonyms

There are no found synonyms.

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
CHEMBL3060	Q9Y345	Glycine transporter 2	85.18%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	84.17%	92.08%
CHEMBL2039	P27338	Monoamine oxidase B	83.72%	92.51%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.99%	96.09%
CHEMBL2061	P19793	Retinoid X receptor alpha	82.84%	91.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.80%	91.11%
CHEMBL2581	P07339	Cathepsin D	81.68%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	81.46%	94.73%

Plants that contains it

• Nectandra puberula

Cross-Links

• PubChem: 162978414
• LOTUS: LTS0072932
• wikiData: Q104167714