Maplexin E

Details

• Internal ID: 508c8d13-a575-4f34-8e1d-3314b083cffd
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters
• IUPAC Name: [(2R,3S,4R,5S)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
• InChI: InChI=1S/C27H24O17/c28-12-1-9(2-13(29)20(12)34)25(38)42-8-19-24(44-27(40)11-5-16(32)22(36)17(33)6-11)23(37)18(7-41-19)43-26(39)10-3-14(30)21(35)15(31)4-10/h1-6,18-19,23-24,28-37H,7-8H2/t18-,19+,23+,24+/m0/s1
• InChI Key: BPVTXEMSGYROPO-PLXZFBFJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₂₄O₁₇
• Molecular Weight: 620.50 g/mol
• Exact Mass: 620.10134929 g/mol
• Topological Polar Surface Area (TPSA): 290.00 Ų
• XlogP: 0.90

Synonyms

• ((2R,3S,4R,5S)-4-hydroxy-3,5-bis((3,4,5-trihydroxybenzoyl)oxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate
• [(2R,3S,4R,5S)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
• RefChem:155757
• CHEMBL1933686
• SCHEMBL15389266

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	99.12%	91.11%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	96.58%	95.17%
CHEMBL3475	P05121	Plasminogen activator inhibitor-1	92.57%	83.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.52%	96.09%
CHEMBL3194	P02766	Transthyretin	89.07%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.62%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.59%	97.09%
CHEMBL1951	P21397	Monoamine oxidase A	87.41%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.05%	89.00%
CHEMBL2581	P07339	Cathepsin D	86.05%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.21%	94.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.79%	90.71%
CHEMBL5255	O00206	Toll-like receptor 4	83.66%	92.50%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	83.19%	90.24%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.60%	97.21%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	80.70%	95.64%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	80.35%	89.67%

Plants that contains it

• Acer rubrum

Cross-Links

• PubChem: 56835121
• NPASS: NPC142528
• ChEMBL: CHEMBL1933686
• LOTUS: LTS0246942
• wikiData: Q104944192