Bananamide D

Details

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Internal ID a4ba10a8-51f6-4576-8ad7-f2c147700087
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name 4-[[3-butan-2-yl-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-[[2-[[(Z)-3-hydroxydodec-4-enoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C53H92N8O14/c1-13-15-16-17-18-19-20-21-35(63)26-42(64)54-36(22-29(3)4)46(67)57-40(27-43(65)66)50(71)61-45-34(12)75-53(74)44(33(11)14-2)60-49(70)39(25-32(9)10)56-51(72)41(28-62)59-48(69)37(23-30(5)6)55-47(68)38(24-31(7)8)58-52(45)73/h20-21,29-41,44-45,62-63H,13-19,22-28H2,1-12H3,(H,54,64)(H,55,68)(H,56,72)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,65,66)/b21-20-
InChI Key FHYXCMJTACIUBG-MRCUWXFGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C53H92N8O14
Molecular Weight 1065.30 g/mol
Exact Mass 1064.67329964 g/mol
Topological Polar Surface Area (TPSA) 337.00 Ų
XlogP 6.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Bananamide D

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
CHEMBL2581 P07339 Cathepsin D 99.85% 98.95%
CHEMBL3837 P07711 Cathepsin L 99.74% 96.61%
CHEMBL3060 Q9Y345 Glycine transporter 2 99.11% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 98.05% 93.56%
CHEMBL3468 P55210 Caspase-7 98.01% 95.68%
CHEMBL230 P35354 Cyclooxygenase-2 97.76% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 97.34% 92.08%
CHEMBL4801 P29466 Caspase-1 97.21% 96.85%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 96.65% 96.47%
CHEMBL221 P23219 Cyclooxygenase-1 96.37% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.11% 91.11%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 93.80% 96.90%
CHEMBL236 P41143 Delta opioid receptor 93.07% 99.35%
CHEMBL1255126 O15151 Protein Mdm4 92.19% 90.20%
CHEMBL3776 Q14790 Caspase-8 91.64% 97.06%
CHEMBL2413 P32246 C-C chemokine receptor type 1 91.06% 89.50%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 90.61% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.59% 96.09%
CHEMBL4227 P25090 Lipoxin A4 receptor 89.58% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.23% 91.81%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 88.81% 92.32%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 87.97% 96.11%
CHEMBL5103 Q969S8 Histone deacetylase 10 87.75% 90.08%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.41% 93.00%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 87.24% 95.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.24% 97.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.98% 95.56%
CHEMBL2334 P42574 Caspase-3 86.93% 98.25%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 86.61% 90.93%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.34% 90.71%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.60% 96.00%
CHEMBL4072 P07858 Cathepsin B 84.61% 93.67%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 84.27% 92.29%
CHEMBL340 P08684 Cytochrome P450 3A4 84.26% 91.19%
CHEMBL3401 O75469 Pregnane X receptor 84.18% 94.73%
CHEMBL1801 P00747 Plasminogen 83.37% 92.44%
CHEMBL5255 O00206 Toll-like receptor 4 83.35% 92.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.00% 89.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.99% 97.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.44% 100.00%
CHEMBL1781 P11387 DNA topoisomerase I 82.30% 97.00%
CHEMBL2514 O95665 Neurotensin receptor 2 81.96% 100.00%
CHEMBL4374 Q9Y5X4 Photoreceptor-specific nuclear receptor 80.67% 85.00%
CHEMBL209 P07477 Trypsin I 80.54% 90.00%
CHEMBL1949 P62937 Cyclophilin A 80.24% 98.57%

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 146682668
LOTUS LTS0128442
wikiData Q104995523