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Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1?)Hex

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 d75a5213-0063-43bd-8fbe-ff22cf52d4c3
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name 2-[2-[[2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O
SMILES (Isomeric) C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O
InChI InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7-48-27(6-36)22(44)16(38)11(2-32)52-27/h10-26,31-47H,1-9H2
InChI Key QNTKVQQLMHZOKP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H52O26
Molecular Weight 828.70 g/mol
Exact Mass 828.27468176 g/mol
Topological Polar Surface Area (TPSA) 427.00 Ų
XlogP -9.20

Synonyms

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PD088014
FT-0776079

2D Structure

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2D Structure of Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1)Hex2ulof(?2-1?)Hex

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 96.21% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.65% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 88.75% 95.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.77% 86.92%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 84.67% 95.83%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.95% 96.61%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.28% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 80.08% 94.73%

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.
Aucklandia costus

Cross-Links

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PubChem 13375991
LOTUS LTS0083004
wikiData Q105224646