PlantaeDB Logo
Login Sign-up

Methanofuran

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 5c8f9070-4a60-413e-a30d-157527516902
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name 7-[[4-[[4-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)
InChI Key CKRUWFDORAQSRC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C34H44N4O15
Molecular Weight 748.70 g/mol
Exact Mass 748.28031671 g/mol
Topological Polar Surface Area (TPSA) 322.00 Ų
XlogP -3.70

Synonyms

Top
DTXSID201046817
AKOS040751029
7-[[4-[[4-[2-[4-[[5-(Aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid
L-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-

2D Structure

Top
2D Structure of Methanofuran

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
CHEMBL3060 Q9Y345 Glycine transporter 2 99.63% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 98.37% 90.17%
CHEMBL2581 P07339 Cathepsin D 98.11% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.21% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.39% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 92.89% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.65% 94.45%
CHEMBL3437 Q16853 Amine oxidase, copper containing 91.32% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.75% 95.50%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 90.41% 82.86%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.40% 99.15%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.54% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.47% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.34% 96.00%
CHEMBL4208 P20618 Proteasome component C5 87.67% 90.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.15% 97.21%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 86.94% 92.29%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 84.90% 87.67%
CHEMBL2535 P11166 Glucose transporter 84.88% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.54% 90.71%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.29% 93.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.78% 94.00%
CHEMBL3891 P07384 Calpain 1 83.44% 93.04%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 82.51% 95.34%
CHEMBL3401 O75469 Pregnane X receptor 82.43% 94.73%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 81.98% 96.67%
CHEMBL4330 Q9NS75 Cysteinyl leukotriene receptor 2 81.83% 98.00%
CHEMBL2039 P27338 Monoamine oxidase B 81.35% 92.51%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.77% 96.95%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 80.01% 89.33%

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.
There are no matching plants.

Cross-Links

Top
PubChem 879
LOTUS LTS0083810
wikiData Q103817816