Niizalactam A

Details

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Internal ID 585edd93-fec1-416a-988d-eadc55d5e066
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > 1,3-dicarbonyl compounds
IUPAC Name (5E,7E,9E,11R,12S,13S,15Z,17E,19E,21E,23S,24R,25S)-11,12,13,24-tetrahydroxy-7,19,25-trimethyl-1-azabicyclo[21.3.0]hexacosa-5,7,9,15,17,19,21-heptaene-2,4,14-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H35NO7/c1-18-8-4-5-12-23(31)27(35)28(36)24(32)13-7-10-19(2)14-15-21(30)16-25(33)29-17-20(3)26(34)22(29)11-6-9-18/h4-15,20,22,24,26-28,32,34-36H,16-17H2,1-3H3/b8-4+,11-6+,12-5-,13-7+,15-14+,18-9+,19-10+/t20-,22-,24+,26+,27+,28-/m0/s1
InChI Key ZOTXNDFSVGKDRC-LJLRWGMXSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H35NO7
Molecular Weight 497.60 g/mol
Exact Mass 497.24135246 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP 1.80

Synonyms

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CHEMBL3765411

2D Structure

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2D Structure of Niizalactam 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
CHEMBL2581 P07339 Cathepsin D 97.29% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.48% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.24% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.22% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.43% 85.14%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.03% 93.03%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.95% 96.77%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.68% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.98% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.18% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.80% 90.71%
CHEMBL279 P35968 Vascular endothelial growth factor receptor 2 81.32% 95.52%
CHEMBL2535 P11166 Glucose transporter 80.49% 98.75%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.46% 100.00%

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 127025611
LOTUS LTS0195383
wikiData Q77504424