Orirubenone B

Details

• Internal ID: 95cc0a31-9f8e-4046-8dbc-c5369fe6352d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones
• IUPAC Name: (2E,6E)-2,6-dimethyl-8-oxo-8-(2,4,5-trihydroxyphenyl)octa-2,6-dienoic acid
• InChI: InChI=1S/C16H18O6/c1-9(4-3-5-10(2)16(21)22)6-12(17)11-7-14(19)15(20)8-13(11)18/h5-8,18-20H,3-4H2,1-2H3,(H,21,22)/b9-6+,10-5+
• InChI Key: RTSRTVWJAJLQRY-TXFIJWAUSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₆
• Molecular Weight: 306.31 g/mol
• Exact Mass: 306.11033829 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 3.10

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.36%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.69%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	90.06%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.34%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.63%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.39%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.84%	95.50%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.81%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10357791
• LOTUS: LTS0133630
• wikiData: Q77565147