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Aminoansamycin C

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 5c98d163-62e7-4c1c-ae6a-1671adf05a8c
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name (4R,5R,6E,8E,11R)-5,14,16-trihydroxy-11-methoxy-4-methyl-2-azabicyclo[10.3.1]hexadeca-1(15),6,8,12(16),13-pentaen-3-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H21NO5/c1-10-14(20)6-4-3-5-7-15(23-2)12-8-11(19)9-13(16(12)21)18-17(10)22/h3-6,8-10,14-15,19-21H,7H2,1-2H3,(H,18,22)/b5-3+,6-4+/t10-,14-,15-/m1/s1
InChI Key JTULUOQLOISFLX-IQTPZEKISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H21NO5
Molecular Weight 319.40 g/mol
Exact Mass 319.14197277 g/mol
Topological Polar Surface Area (TPSA) 99.00 Ų
XlogP 1.40

Synonyms

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(4R,5R,6E,8E,11R)-5,14,16-trihydroxy-11-methoxy-4-methyl-2-azabicyclo[10.3.1]hexadeca-1(15),6,8,12(16),13-pentaen-3-one
(4R,5R,6E,8E,11R)-5,14,16-trihydroxy-11-methoxy-4-methyl-2-azabicyclo(10.3.1)hexadeca-1(15),6,8,12(16),13-pentaen-3-one
RefChem:112004
CHEBI:210065

2D Structure

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2D Structure of Aminoansamycin C

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 99.08% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.08% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.53% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.04% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.44% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.46% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.08% 92.94%
CHEMBL1937 Q92769 Histone deacetylase 2 89.93% 94.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.26% 97.09%
CHEMBL4208 P20618 Proteasome component C5 87.13% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.11% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.94% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.63% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.52% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.78% 91.07%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.57% 86.33%
CHEMBL2535 P11166 Glucose transporter 82.26% 98.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.50% 97.25%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.31% 90.71%

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 146683253
LOTUS LTS0063472
wikiData Q105135010