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Actinomycin G6

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 26fa1f7c-25cb-4f17-857b-84cad02def16
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name [(2R)-2-hydroxy-2-[(3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] 2-amino-9-[[(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]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)22-37(76)70(14)31(10)52(79)67-45(55(82)64-41)36(75)24-89-60(87)39-40(62)49(78)30(9)51-46(39)63-44-33(19-18-28(7)50(44)91-51)53(80)66-43-32(11)90-61(88)47(27(5)6)71(15)38(77)23-69(13)59(86)48-35(74)21-29(8)73(48)58(85)42(26(3)4)65-54(43)81/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t29-,31-,32+,34-,35-,36-,41+,42+,43-,45-,47-,48-/m0/s1
InChI Key KTDUETWVXTYQEE-AWOIIBEVSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C61H84N12O18
Molecular Weight 1273.40 g/mol
Exact Mass 1272.60265388 g/mol
Topological Polar Surface Area (TPSA) 396.00 Ų
XlogP 1.80

Synonyms

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RefChem:109532
910780-97-1
((2R)-2-hydroxy-2-((3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo(13.3.0)octadecan-6-yl)ethyl) 2-amino-9-(((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)carbamoyl)-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
[(2R)-2-hydroxy-2-[(3R,6S,9S,15S)-9,10,13-trimethyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl]ethyl] 2-amino-9-[[(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]carbamoyl]-4,6-dimethyl-3-oxophenoxazine-1-carboxylate
N-((6S,9R,10S,13R,16S,18S,18AS)-11,18-dihydroxy-2,5,9,16-tetramethyl-1,4,7,14-tetraoxo-6,13-bis(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,9H,10H,13H,14H,16H,17H,18H,18ah-pyrrolo(2,1-i)1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl)-1-(((2R)-2-((6S,9S,12R,17as)-7,10-dihydroxy-2,5,6-trimethyl-1,4,13-trioxo-12-(propan-2-yl)-1H,2H,3H,4H,5H,6H,9H,12H,13H,15H,16H,17H,17ah-pyrrolo(1,2-a)1,4,7,10,13-pentaazacyclopentadecan-9-yl)-2-hydroxyethoxy)carbonyl)-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-9-carboximidate
N-[(6S,9R,10S,13R,16S,18S,18AS)-11,18-dihydroxy-2,5,9,16-tetramethyl-1,4,7,14-tetraoxo-6,13-bis(propan-2-yl)-1H,2H,3H,4H,5H,6H,7H,9H,10H,13H,14H,16H,17H,18H,18ah-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-1-{[(2R)-2-[(6S,9S,12R,17as)-7,10-dihydroxy-2,5,6-trimethyl-1,4,13-trioxo-12-(propan-2-yl)-1H,2H,3H,4H,5H,6H,9H,12H,13H,15H,16H,17H,17ah-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-9-yl]-2-hydroxyethoxy]carbonyl}-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-9-carboximidate
CHEMBL503854
SCHEMBL29884538
CHEBI:205512

2D Structure

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2D Structure of Actinomycin G6

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 97.47% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.65% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.44% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.90% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.89% 97.09%
CHEMBL4302 P08183 P-glycoprotein 1 92.41% 92.98%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.24% 94.00%
CHEMBL3837 P07711 Cathepsin L 91.95% 96.61%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.39% 95.89%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 91.08% 93.65%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 90.55% 81.11%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 87.72% 82.38%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.65% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.85% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.56% 97.25%
CHEMBL4208 P20618 Proteasome component C5 85.17% 90.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 84.32% 96.67%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.12% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.60% 86.33%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.22% 90.08%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.99% 96.90%
CHEMBL228 P31645 Serotonin transporter 82.34% 95.51%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.29% 96.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.23% 93.03%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.10% 89.62%
CHEMBL2243 O00519 Anandamide amidohydrolase 81.60% 97.53%
CHEMBL5028 O14672 ADAM10 81.26% 97.50%

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 16083117
LOTUS LTS0049688
wikiData Q77424958