Lactoquinomycin E

Details

• Internal ID: baaa9956-30ab-4c7f-905f-338aa1418652
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
• IUPAC Name: 2-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1,6-dihydroxy-8-methylanthracene-9,10-dione
• SMILES (Canonical): CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)C)O)N(C)C)O
• SMILES (Isomeric): C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)C)O)N(C)C)O
• InChI: InChI=1S/C23H25NO6/c1-10-7-12(25)8-15-18(10)23(29)19-14(21(15)27)6-5-13(22(19)28)17-9-16(24(3)4)20(26)11(2)30-17/h5-8,11,16-17,20,25-26,28H,9H2,1-4H3/t11-,16-,17-,20-/m1/s1
• InChI Key: INOPVRVXCBNDBP-WCYMFGLZSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₅NO₆
• Molecular Weight: 411.40 g/mol
• Exact Mass: 411.16818752 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 2.80

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
CHEMBL1806	P11388	DNA topoisomerase II alpha	98.51%	89.00%
CHEMBL2581	P07339	Cathepsin D	98.40%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.57%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.69%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.49%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.55%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.26%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	89.12%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.10%	86.33%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	85.74%	95.64%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.69%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.27%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.77%	95.89%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.49%	99.15%
CHEMBL4208	P20618	Proteasome component C5	83.30%	90.00%
CHEMBL4530	P00488	Coagulation factor XIII	82.02%	96.00%
CHEMBL226	P30542	Adenosine A1 receptor	81.79%	95.93%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	81.37%	96.67%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.77%	96.21%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.44%	93.65%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.30%	94.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682233
• LOTUS: LTS0182275
• wikiData: Q105116320