Kidamycin

Details

• Internal ID: 8635ae19-3762-4e93-9e23-489afe3b66c7
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones
• IUPAC Name: 2-[(E)-but-2-en-2-yl]-10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
• InChI: InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11+/t19-,20+,24-,27-,28-,33-,38-,39+/m1/s1
• InChI Key: MFTJRTUKCOVIMD-DKUBSEJESA-N
• Popularity: 30 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₉H₄₈N₂O₉
• Molecular Weight: 688.80 g/mol
• Exact Mass: 688.33598111 g/mol
• Topological Polar Surface Area (TPSA): 146.00 Ų
• XlogP: 4.30

Synonyms

• 11072-82-5
• E59M3D67RY
• DTXSID201028223
• NSC-143094
• NSC-295565
• RefChem:924154
• DTXCID201765538
• 2-((E)-but-2-en-2-yl)-10-((4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl)-8-((4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)-11-hydroxy-5-methylnaphtho(2,3-h)chromene-4,7,12-trione
• 2-[(E)-but-2-en-2-yl]-10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
• Rubiflavin B
• NSC 143094;Rubiflavin B
• orb1696766
• 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-(1-methyl-1-propenyl)-8-[2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl]-, (E)-
• AKOS040752261
• 11-Hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione
• 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]-8-[2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl]-
• 4H-Anthra[1,2-b]pyran-4,7,12-trione, 11-hydroxy-5-methyl-2-[(1E)-1-methyl-1-propenyl]-8-[2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl]-

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	99.39%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	99.18%	89.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	98.20%	89.34%
CHEMBL2581	P07339	Cathepsin D	97.79%	98.95%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	95.22%	96.21%
CHEMBL1951	P21397	Monoamine oxidase A	93.89%	91.49%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	92.96%	85.11%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	92.80%	95.64%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	89.07%	96.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	88.94%	93.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.77%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	88.61%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.32%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.94%	99.23%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	86.81%	94.42%
CHEMBL2179	P04062	Beta-glucocerebrosidase	86.03%	85.31%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.44%	100.00%
CHEMBL3038469	P24941	CDK2/Cyclin A	85.13%	91.38%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	85.05%	96.77%
CHEMBL3401	O75469	Pregnane X receptor	84.68%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.30%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.87%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.86%	85.14%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.18%	91.07%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	82.63%	98.46%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.07%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.00%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 15594582
• LOTUS: LTS0080807
• wikiData: Q105162999