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Actinomycin Y6

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 1092a636-2832-4c9f-85c7-f244b941c1fd
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name (4R)-N-[(3R,6S,7R,10S,16S,17S,19S)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-7,9-dimethyl-1,6-dioxo-4-[(3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]-4,5-dihydro-3H-[1,4]oxazepino[6,5-a]phenoxazine-12-carboxamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-20-32(74)19-35(72)56(83)68(12)21-37(76)70(14)30(10)52(79)67-44(55(82)64-40)34-23-89-60(87)39-45(62-34)49(78)29(9)51-46(39)63-43-33(17-16-27(7)50(43)91-51)53(80)66-42-31(11)90-61(88)47(26(5)6)71(15)38(77)22-69(13)59(86)48-36(75)18-28(8)73(48)58(85)41(25(3)4)65-54(42)81/h16-17,24-26,28,30-31,34-36,40-42,44,47-48,62,75H,18-23H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t28-,30-,31+,34-,35-,36-,40+,41+,42-,44-,47-,48-/m0/s1
InChI Key KLFMLKUJSQSQEM-SDCBHFABSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C61H80N12O18
Molecular Weight 1269.40 g/mol
Exact Mass 1268.57135375 g/mol
Topological Polar Surface Area (TPSA) 379.00 Ų
XlogP 0.80

Synonyms

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CHEMBL4080332

2D Structure

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2D Structure of Actinomycin Y6

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
CHEMBL3038477 P67870 Casein kinase II alpha/beta 97.49% 99.23%
CHEMBL3837 P07711 Cathepsin L 96.83% 96.61%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 95.59% 81.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.53% 85.14%
CHEMBL2581 P07339 Cathepsin D 95.19% 98.95%
CHEMBL4302 P08183 P-glycoprotein 1 94.70% 92.98%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.70% 95.56%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 90.74% 88.42%
CHEMBL4072 P07858 Cathepsin B 90.71% 93.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.69% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.58% 94.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 88.04% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.22% 96.09%
CHEMBL220 P22303 Acetylcholinesterase 85.72% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.02% 93.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.01% 93.65%
CHEMBL5028 O14672 ADAM10 84.50% 97.50%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.13% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.46% 97.09%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 83.07% 96.39%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.45% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.08% 90.08%
CHEMBL3038469 P24941 CDK2/Cyclin A 80.70% 91.38%
CHEMBL2096618 P11274 Bcr/Abl fusion protein 80.47% 85.83%
CHEMBL4208 P20618 Proteasome component C5 80.39% 90.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.35% 96.67%
CHEMBL2243 O00519 Anandamide amidohydrolase 80.31% 97.53%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 80.17% 96.90%

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 137646860
LOTUS LTS0104451
wikiData Q105142588