Norjavanicin

Details

• Internal ID: 947d2e61-099e-4417-a171-c06d3ede1195
• Taxonomy: Benzenoids > Naphthalenes > Naphthoquinones
• IUPAC Name: 5,8-dihydroxy-2-methoxy-7-(2-oxopropyl)naphthalene-1,4-dione
• InChI: InChI=1S/C14H12O6/c1-6(15)3-7-4-8(16)11-9(17)5-10(20-2)14(19)12(11)13(7)18/h4-5,16,18H,3H2,1-2H3
• InChI Key: KXRBPFZEZQNRLI-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₆
• Molecular Weight: 276.24 g/mol
• Exact Mass: 276.06338810 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: 1.60

Synonyms

• 5,8-dihydroxy-7-methoxy-2-(2-oxopropyl)naphthalene-1,4-dione
• SCHEMBL3132323
• DTXSID70435764
• 5,8-dihydroxy-2-methoxy-7-(2-oxopropyl)naphthalene-1,4-dione
• Q27896599

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	99.25%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.27%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.96%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.74%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.05%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.96%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.90%	95.56%
CHEMBL4208	P20618	Proteasome component C5	86.62%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.81%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.81%	89.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	84.56%	92.68%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.52%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	80.48%	94.73%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.14%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135527010
• LOTUS: LTS0075963
• wikiData: Q27896599