Iminimycin A

Details

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Internal ID 570fd9a4-caa8-427b-9796-6d92e72c1365
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines
IUPAC Name (1aR,2S,7bS)-2-[(1E,3E,5E)-5-methylhepta-1,3,5-trienyl]-1,1a,2,4,5,6,7,7b-octahydrocyclopropa[a]indolizin-3-ium
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H24N/c1-3-13(2)8-4-5-9-16-14-12-15(14)17-10-6-7-11-18(16)17/h3-5,8-9,14-16H,6-7,10-12H2,1-2H3/q+1/b8-4+,9-5+,13-3+/t14-,15+,16+/m1/s1
InChI Key ZGGASQUTZHTTQR-KTKKEOCVSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H24N+
Molecular Weight 242.38 g/mol
Exact Mass 242.190874770 g/mol
Topological Polar Surface Area (TPSA) 3.00 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Iminimycin 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.42% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.21% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.46% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.64% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.49% 85.14%
CHEMBL2581 P07339 Cathepsin D 81.79% 98.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.79% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 132599735
LOTUS LTS0218962
wikiData Q105375151