2-Methyl-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexa-2,5-diene-1,4-dione

Details

• Internal ID: 4b11b842-fe25-436e-9d0e-9fec7fb022f8
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 2-methyl-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexa-2,5-diene-1,4-dione
• InChI: InChI=1S/C27H38O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18-19H,7-9,11,13,15,17H2,1-6H3
• InChI Key: CLBZFGYNUBWKJX-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₈O₂
• Molecular Weight: 394.60 g/mol
• Exact Mass: 394.287180451 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 7.90

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	94.60%	92.08%
CHEMBL2581	P07339	Cathepsin D	93.47%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	91.28%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.53%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.81%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.22%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.54%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73819812
• LOTUS: LTS0192059
• wikiData: Q104963179