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Schizophyllan

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 242a0eef-beb3-42a4-9ca1-c6d8f75294b0
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
SMILES (Canonical) C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
SMILES (Isomeric) C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI InChI=1S/C24H42O21/c25-1-5-9(28)13(32)15(34)22(41-5)39-4-8-12(31)20(45-23-16(35)14(33)10(29)6(2-26)42-23)18(37)24(43-8)44-19-11(30)7(3-27)40-21(38)17(19)36/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21-,22-,23+,24+/m1/s1
InChI Key WDQLRUYAYXDIFW-RWKIJVEZSA-N
Popularity 306 references in papers

Physical and Chemical Properties

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Molecular Formula C24H42O21
Molecular Weight 666.60 g/mol
Exact Mass 666.22185834 g/mol
Topological Polar Surface Area (TPSA) 348.00 Ų
XlogP -7.90

Synonyms

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9050-67-3
Sizofilan
Sonifilan
(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
SCHEMBL1517238
DTXSID00238184
YS46139
NCGC00532495-01

2D Structure

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2D Structure of Schizophyllan

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 94.62% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 93.11% 95.93%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 89.24% 83.57%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.29% 96.09%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.76% 86.92%
CHEMBL3589 P55263 Adenosine kinase 81.68% 98.05%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 24777
LOTUS LTS0078319
wikiData Q76001899