Chromomycin Sa2

Details

• Internal ID: 3b496bb7-b3b6-4fab-8705-94dcc539727b
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2S)-2-[(2R,3S)-7-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-3-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,4S,5S,6S)-4-hydroxy-4,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid
• InChI: InChI=1S/C56H80O25/c1-21(2)55(66)81-53-27(8)74-41(20-56(53,10)67)78-35-17-38(70-23(4)46(35)61)77-34-18-40(71-24(5)45(34)60)80-51-31(52(69-12)54(64)65)14-29-13-30-15-33(22(3)44(59)42(30)47(62)43(29)48(51)63)76-39-19-36(50(26(7)73-39)75-28(9)57)79-37-16-32(58)49(68-11)25(6)72-37/h13,15,21,23-27,31-32,34-41,45-46,49-53,58-62,67H,14,16-20H2,1-12H3,(H,64,65)/t23-,24-,25-,26-,27+,31-,32-,34-,35-,36-,37-,38+,39+,40+,41+,45-,46-,49+,50+,51+,52+,53+,56+/m1/s1
• InChI Key: APJCERXOJXYNFX-FKAWAMMXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₆H₈₀O₂₅
• Molecular Weight: 1153.20 g/mol
• Exact Mass: 1152.49886803 g/mol
• Topological Polar Surface Area (TPSA): 339.00 Ų
• XlogP: 4.10

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	99.44%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.48%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.34%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.77%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.95%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.88%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.49%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.29%	89.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	92.91%	95.64%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.89%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.60%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	90.67%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.73%	99.15%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.80%	95.89%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	88.46%	91.03%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	88.43%	95.50%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	87.34%	95.89%
CHEMBL340	P08684	Cytochrome P450 3A4	85.49%	91.19%
CHEMBL2413	P32246	C-C chemokine receptor type 1	85.45%	89.50%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	85.00%	85.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.09%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.72%	97.21%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	83.43%	96.21%
CHEMBL5314	Q06418	Tyrosine-protein kinase receptor TYRO3	82.68%	96.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.67%	96.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.48%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.39%	96.95%
CHEMBL1993	P26358	DNA (cytosine-5)-methyltransferase 1	81.39%	95.44%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.72%	97.09%
CHEMBL5255	O00206	Toll-like receptor 4	80.31%	92.50%
CHEMBL3714130	P46095	G-protein coupled receptor 6	80.21%	97.36%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	80.12%	94.42%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53379616
• LOTUS: LTS0069361
• wikiData: Q77489111