Quinomycin J


Internal ID 165a8464-f517-4280-a07f-48d6628e4856
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-11,24-bis[(2S)-3-methylbutan-2-yl]-27-methylsulfanyl-3,6,10,13,16,19,23,26,28-nonaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
SMILES (Canonical) CC1C(=O)N(C2CS(=O)C(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C
SMILES (Isomeric) C[C@H]1C(=O)N([C@H]2CS(=O)C([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)[C@@H](C)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)[C@@H](C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C
InChI InChI=1S/C55H72N12O13S2/c1-27(2)29(5)42-53(76)79-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)80-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-82(78)55(44)81-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)/t29-,30-,31-,32-,39+,40+,41-,42-,43-,44+,55?,82?/m0/s1
Popularity 1 reference in papers

Physical and Chemical Properties

Molecular Formula C55H72N12O13S2
Molecular Weight 1173.40 g/mol
Exact Mass 1172.47832275 g/mol
Topological Polar Surface Area (TPSA) 363.00 Ų
XlogP 2.70


There are no found synonyms.

2D Structure

2D Structure of Quinomycin J

3D Structure


ADMET Properties (via admetSAR 2)

Target Value Probability (raw) Probability (%)
No predicted properties yet!



Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.14% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.97% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.88% 99.23%
CHEMBL4073 P09237 Matrix metalloproteinase 7 93.29% 97.56%
CHEMBL2581 P07339 Cathepsin D 92.47% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.53% 95.56%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 88.36% 81.11%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 88.02% 88.42%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 87.47% 93.10%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.32% 91.11%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.93% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.72% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.85% 90.71%
CHEMBL5028 O14672 ADAM10 85.65% 97.50%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 85.33% 97.64%
CHEMBL4208 P20618 Proteasome component C5 85.14% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.48% 89.00%
CHEMBL255 P29275 Adenosine A2b receptor 83.26% 98.59%
CHEMBL2535 P11166 Glucose transporter 83.17% 98.75%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 82.29% 98.33%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 81.02% 92.29%
CHEMBL3310 Q96DB2 Histone deacetylase 11 80.56% 88.56%

Plants that contains it

Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.


PubChem 145720685
LOTUS LTS0115415
wikiData Q104972828