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Maytenine

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 68c4efaf-231a-4885-a8ef-798bc71cae8c
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name (E)-3-phenyl-N-[4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H31N3O2/c29-24(16-14-22-10-3-1-4-11-22)27-20-8-7-18-26-19-9-21-28-25(30)17-15-23-12-5-2-6-13-23/h1-6,10-17,26H,7-9,18-21H2,(H,27,29)(H,28,30)/b16-14+,17-15+
InChI Key MYKCJTMBUXHIMQ-YXLFCKQPSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C25H31N3O2
Molecular Weight 405.50 g/mol
Exact Mass 405.24162724 g/mol
Topological Polar Surface Area (TPSA) 70.20 Ų
XlogP 3.70

Synonyms

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41590-65-2
(E)-3-phenyl-N-[4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
Di-trans-cinnamoylspermidine
ACon1_002317
NCGC00169959-01
BRD-K85059207-001-01-8

2D Structure

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2D Structure of Maytenine

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 96.64% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.15% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.45% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.43% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.81% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.43% 86.33%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 87.56% 89.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.50% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 85.41% 96.67%
CHEMBL221 P23219 Cyclooxygenase-1 85.36% 90.17%
CHEMBL5028 O14672 ADAM10 85.34% 97.50%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.85% 90.24%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.74% 100.00%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.85% 93.81%
CHEMBL3401 O75469 Pregnane X receptor 82.04% 94.73%
CHEMBL4208 P20618 Proteasome component C5 80.06% 90.00%

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 6443530
LOTUS LTS0221313
wikiData Q77492359