Phlebopine B

Details

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Internal ID 9dfdb344-9b4a-41d1-8fe3-267b405beba9
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes
IUPAC Name 5-(hydroxymethyl)-1-(2-methylbutyl)pyrrole-2-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H17NO2/c1-3-9(2)6-12-10(7-13)4-5-11(12)8-14/h4-5,7,9,14H,3,6,8H2,1-2H3
InChI Key FAHLCFGVIKKHSC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H17NO2
Molecular Weight 195.26 g/mol
Exact Mass 195.125928785 g/mol
Topological Polar Surface Area (TPSA) 42.20 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Phlebopine B

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 97.35% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.51% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.49% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.44% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.59% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.70% 96.00%
CHEMBL4208 P20618 Proteasome component C5 81.87% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.07% 90.24%

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 146684124
LOTUS LTS0127390
wikiData Q104992264