Rakicidin A

Details

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Internal ID d0ae0a2a-d291-44dd-8950-4edec77c3075
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name 2-[(9Z)-7,14-dimethyl-11-methylidene-15-(14-methylpentadecan-2-yl)-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]-2-hydroxyacetamide
SMILES (Canonical) CC1C(OC(=O)C(NC(=O)CN(C(=O)C=CC(=C)NC1=O)C)C(C(=O)N)O)C(C)CCCCCCCCCCCC(C)C
SMILES (Isomeric) CC1C(OC(=O)C(NC(=O)CN(C(=O)/C=C\C(=C)NC1=O)C)C(C(=O)N)O)C(C)CCCCCCCCCCCC(C)C
InChI InChI=1S/C32H54N4O7/c1-21(2)16-14-12-10-8-7-9-11-13-15-17-22(3)29-24(5)31(41)34-23(4)18-19-26(38)36(6)20-25(37)35-27(32(42)43-29)28(39)30(33)40/h18-19,21-22,24,27-29,39H,4,7-17,20H2,1-3,5-6H3,(H2,33,40)(H,34,41)(H,35,37)/b19-18-
InChI Key NODOLTRBPIFGCQ-HNENSFHCSA-N
Popularity 14 references in papers

Physical and Chemical Properties

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Molecular Formula C32H54N4O7
Molecular Weight 606.80 g/mol
Exact Mass 606.39925007 g/mol
Topological Polar Surface Area (TPSA) 168.00 Ų
XlogP 6.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Rakicidin A

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.14% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.58% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.98% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.10% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.67% 90.71%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.36% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.79% 95.56%
CHEMBL5103 Q969S8 Histone deacetylase 10 89.14% 90.08%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.80% 97.09%
CHEMBL3310 Q96DB2 Histone deacetylase 11 88.08% 88.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.07% 85.14%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.05% 93.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.94% 99.17%
CHEMBL4588 P22894 Matrix metalloproteinase 8 84.37% 94.66%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.32% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.29% 89.00%
CHEMBL4581 P52732 Kinesin-like protein 1 83.53% 93.18%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.80% 100.00%
CHEMBL4208 P20618 Proteasome component C5 81.37% 90.00%
CHEMBL4040 P28482 MAP kinase ERK2 81.36% 83.82%
CHEMBL332 P03956 Matrix metalloproteinase-1 80.62% 94.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 101689637
LOTUS LTS0262555
wikiData Q105182516