2-(3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)cyclohexa-2,5-diene-1,4-dione

Details

• Internal ID: 67adaf02-1d87-4e48-a356-4e4c467b1922
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones > Polyprenylbenzoquinones
• IUPAC Name: 2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)cyclohexa-2,5-diene-1,4-dione
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C=CC1=O)C)C)C)C)C)C)C
• SMILES (Isomeric): CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C=CC1=O)C)C)C)C)C)C)C
• InChI: InChI=1S/C41H60O2/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42)29-30-41(39)43/h15,17,19,21,23,25,27,29-31H,9-14,16,18,20,22,24,26,28H2,1-8H3
• InChI Key: FLUHYUVEOJUODC-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₄₁H₆₀O₂
• Molecular Weight: 584.90 g/mol
• Exact Mass: 584.45933115 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 13.10

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.12%	92.08%
CHEMBL2581	P07339	Cathepsin D	91.87%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.14%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.82%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.98%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	84.52%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.88%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 85130588
• LOTUS: LTS0195546
• wikiData: Q104997513