Rakicidin C

Details

Top
Internal ID 750db58b-2bbc-4da2-9777-9c9247b3016a
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name 3-[(9E)-15-(4,6-dimethylheptan-2-yl)-7,14-dimethyl-11-methylidene-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]propanamide
SMILES (Canonical) CC1C(OC(=O)C(NC(=O)CN(C(=O)C=CC(=C)NC1=O)C)CCC(=O)N)C(C)CC(C)CC(C)C
SMILES (Isomeric) CC1C(OC(=O)C(NC(=O)CN(C(=O)/C=C/C(=C)NC1=O)C)CCC(=O)N)C(C)CC(C)CC(C)C
InChI InChI=1S/C26H42N4O6/c1-15(2)12-16(3)13-17(4)24-19(6)25(34)28-18(5)8-11-23(33)30(7)14-22(32)29-20(26(35)36-24)9-10-21(27)31/h8,11,15-17,19-20,24H,5,9-10,12-14H2,1-4,6-7H3,(H2,27,31)(H,28,34)(H,29,32)/b11-8+
InChI Key QWJSJIQOPXXDQH-DHZHZOJOSA-N
Popularity 15 references in papers

Physical and Chemical Properties

Top
Molecular Formula C26H42N4O6
Molecular Weight 506.60 g/mol
Exact Mass 506.31043507 g/mol
Topological Polar Surface Area (TPSA) 148.00 Ų
XlogP 2.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Rakicidin C

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.82% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.61% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 97.77% 83.82%
CHEMBL2581 P07339 Cathepsin D 97.37% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.87% 94.45%
CHEMBL3837 P07711 Cathepsin L 95.50% 96.61%
CHEMBL221 P23219 Cyclooxygenase-1 92.65% 90.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 92.00% 90.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.46% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.23% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.58% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.12% 97.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 87.09% 96.47%
CHEMBL230 P35354 Cyclooxygenase-2 85.08% 89.63%
CHEMBL332 P03956 Matrix metalloproteinase-1 83.68% 94.50%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.23% 100.00%
CHEMBL4588 P22894 Matrix metalloproteinase 8 82.49% 94.66%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.49% 95.89%
CHEMBL4208 P20618 Proteasome component C5 81.90% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.84% 89.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.79% 93.56%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.45% 100.00%

Plants that contains it

Top
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.

Cross-Links

Top
PubChem 10625405
LOTUS LTS0158870
wikiData Q77281202