Galirubinon D

Details

• Internal ID: 90a339dd-9f36-4c18-ac5e-413d55158ca5
• Taxonomy: Benzenoids > Naphthacenes > Tetracenequinones
• IUPAC Name: methyl 2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
• InChI: InChI=1S/C22H20O7/c1-3-22(28)8-7-10-12(17(22)21(27)29-2)9-13-16(19(10)25)20(26)15-11(18(13)24)5-4-6-14(15)23/h4-6,9,17,23,25,28H,3,7-8H2,1-2H3
• InChI Key: INYMGFOOIHFPOO-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₀O₇
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.12090297 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 3.60

Synonyms

• Galirubinon D
• 7-Desoxy-aklavinon
• NSC114777
• DEOXYAKLAVINONE,7-
• SCHEMBL11064285
• NSC-114777

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	99.54%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.99%	98.95%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	97.92%	96.38%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.53%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.56%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.71%	89.00%
CHEMBL2535	P11166	Glucose transporter	91.25%	98.75%
CHEMBL1951	P21397	Monoamine oxidase A	90.52%	91.49%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.21%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.12%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.69%	94.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.48%	95.89%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.27%	92.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.18%	86.33%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	83.15%	96.67%
CHEMBL226	P30542	Adenosine A1 receptor	82.76%	95.93%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.18%	93.03%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	82.03%	95.17%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.66%	91.07%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	80.53%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.39%	97.25%
CHEMBL340	P08684	Cytochrome P450 3A4	80.37%	91.19%
CHEMBL4208	P20618	Proteasome component C5	80.07%	90.00%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.01%	91.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 271300
• LOTUS: LTS0100399
• wikiData: Q105116497