CID 137630430

Details

• Internal ID: 6764ae8a-9452-4127-a4fd-bc3dd8f1327f
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
• IUPAC Name: (3R)-3,5,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
• InChI: InChI=1S/C16H16O6/c1-16(21)4-3-7-8(6-16)14(19)12-11(13(7)18)9(17)5-10(22-2)15(12)20/h5,17,20-21H,3-4,6H2,1-2H3/t16-/m1/s1
• InChI Key: MYCBBIZSOSXLAD-MRXNPFEDSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₆
• Molecular Weight: 304.29 g/mol
• Exact Mass: 304.09468823 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.10

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	99.07%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.54%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.07%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.19%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.10%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.91%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.78%	94.00%
CHEMBL1937	Q92769	Histone deacetylase 2	88.75%	94.75%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.65%	92.94%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.57%	89.00%
CHEMBL4208	P20618	Proteasome component C5	83.90%	90.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.16%	93.99%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.46%	92.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 137630430
• LOTUS: LTS0032727
• wikiData: Q105174787