PlantaeDB Logo
Login Sign-up

Dipiperamide A

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

Top
Internal ID 7e6f4f1d-6559-48d2-826e-aa5ba692f3ba
Taxonomy Organoheterocyclic compounds > Benzodioxoles
IUPAC Name (E)-3-[2,4-bis(1,3-benzodioxol-5-yl)-3-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
SMILES (Canonical) C1CCN(CC1)C(=O)C=CC2C(C(C2C3=CC4=C(C=C3)OCO4)C=CC(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7
SMILES (Isomeric) C1CCN(CC1)C(=O)/C=C/C2C(C(C2C3=CC4=C(OCO4)C=C3)/C=C/C(=O)N5CCCCC5)C6=CC7=C(OCO7)C=C6
InChI InChI=1S/C34H38N2O6/c37-31(35-15-3-1-4-16-35)13-9-25-33(23-7-11-27-29(19-23)41-21-39-27)26(10-14-32(38)36-17-5-2-6-18-36)34(25)24-8-12-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,33-34H,1-6,15-18,21-22H2/b13-9+,14-10+
InChI Key WXSSVJXPONXCFP-UTLPMFLDSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C34H38N2O6
Molecular Weight 570.70 g/mol
Exact Mass 570.27298694 g/mol
Topological Polar Surface Area (TPSA) 77.50 Ų
XlogP 4.80

Synonyms

Top
SCHEMBL4446513
SCHEMBL23727630
(2E)-3-[2,4-bis(2H-1,3-benzodioxol-5-yl)-3-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]cyclobutyl]-1-(piperidin-1-yl)prop-2-en-1-one

2D Structure

Top
2D Structure of Dipiperamide A

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 96.46% 83.57%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.24% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.62% 91.11%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 91.50% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.47% 96.09%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 91.09% 90.24%
CHEMBL2581 P07339 Cathepsin D 89.29% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.13% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.20% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.35% 86.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.31% 90.71%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.67% 97.09%
CHEMBL4208 P20618 Proteasome component C5 84.58% 90.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.82% 92.62%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.34% 93.40%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.57% 85.14%

Plants that contains it

Top
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.
Piper nigrum

Cross-Links

Top
PubChem 10348020
LOTUS LTS0086636
wikiData Q105314903