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Manumycin G

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 3cd385dd-8d9d-477b-b260-f98328b4d00c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
IUPAC Name (2E,4E,6E)-N-[(5S)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methylnona-2,4,6-trienamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H30N2O7/c1-18(2)11-7-3-4-8-12-22(33)29-19-17-28(36,27-26(37-27)25(19)35)16-10-6-5-9-13-23(34)30-24-20(31)14-15-21(24)32/h3-13,16-18,26-27,31,36H,14-15H2,1-2H3,(H,29,33)(H,30,34)/b4-3+,6-5+,11-7+,12-8+,13-9+,16-10+/t26?,27?,28-/m0/s1
InChI Key WIFRXHSYMJBOJD-WGTDVQNWSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C28H30N2O7
Molecular Weight 506.50 g/mol
Exact Mass 506.20530130 g/mol
Topological Polar Surface Area (TPSA) 145.00 Ų
XlogP 2.10

Synonyms

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(2E,4E,6E)-N-((5S)-5-hydroxy-5-((1E,3E,5E)-7-((2-hydroxy-5-oxocyclopenten-1-yl)amino)-7-oxohepta-1,3,5-trienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-8-methylnona-2,4,6-trienamide
(2E,4E,6E)-N-[(5S)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methylnona-2,4,6-trienamide
RefChem:925307
(2E,4E,6E)-N-((1S,5S,6R)-5-hydroxy-5-((1E,3E,5E)-7-((2-hydroxy-5-oxocyclopenten-1-yl)amino)-7-oxohepta-1,3,5-trienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-8-methylnona-2,4,6-trienamide
2,4,6-Nonatrienamide, N-(5-hydroxy-5-(7-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-7-oxo-1,3,5-heptatrienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-8-methyl-
156250-44-1
CHEBI:202944

2D Structure

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2D Structure of Manumycin G

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.65% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.28% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.36% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.17% 85.14%
CHEMBL340 P08684 Cytochrome P450 3A4 88.98% 91.19%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.33% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.21% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.80% 99.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.59% 90.71%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 84.36% 95.64%
CHEMBL299 P17252 Protein kinase C alpha 82.88% 98.03%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 82.32% 80.00%

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 10051920
LOTUS LTS0123841
wikiData Q77374421