Kinanthraquinone

Details

• Internal ID: deff83b4-b284-4bf9-8bd4-d51424d6fde5
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 4-(1-hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide
• InChI: InChI=1S/C21H19NO6/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H2,22,23)
• InChI Key: MFRLYJDZURPKEB-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₉NO₆
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.12123733 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 3.10

Synonyms

• CHEBI:167575
• RefChem:924159
• 4-(1-hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide

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	97.76%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.70%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.78%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.29%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.83%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	90.86%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.39%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.76%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.58%	86.33%
CHEMBL2535	P11166	Glucose transporter	85.19%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.72%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.06%	89.34%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	81.22%	94.42%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589516
• LOTUS: LTS0091677
• wikiData: Q104171655