2,3-Di(3,3-dimethylallyl)-1,4-naphthochinon

Details

• Internal ID: 882cacc9-7e05-41c1-b8a2-964f40289339
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds
• IUPAC Name: 2,3-bis(3-methylbut-2-enyl)naphthalene-1,4-dione
• InChI: InChI=1S/C20H22O2/c1-13(2)9-11-17-18(12-10-14(3)4)20(22)16-8-6-5-7-15(16)19(17)21/h5-10H,11-12H2,1-4H3
• InChI Key: JDZYPJCOQZSKSE-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₂
• Molecular Weight: 294.40 g/mol
• Exact Mass: 294.161979940 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 4.90

Synonyms

• 2,3-Di(3,3-dimethylallyl)-1,4-naphthochinon

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
CHEMBL2581	P07339	Cathepsin D	98.35%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.08%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	90.34%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.01%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	88.14%	91.49%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	85.07%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.29%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.18%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.25%	96.00%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	80.06%	96.67%

Plants that contains it

• Handroanthus guayacan

Cross-Links

• PubChem: 53361118
• LOTUS: LTS0100544
• wikiData: Q105125898