Globosumoside B

Details

Top
Internal ID de1f2bfa-9aad-4c7a-85d8-14ddf016ea03
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name [(2R,3S,4S,5R,6S)-6-(3-chloro-6-hydroxy-4-methoxy-2-propylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H25ClO9/c1-4-5-9-13(19)11(25-3)6-10(21)17(9)28-18-16(24)15(23)14(22)12(27-18)7-26-8(2)20/h6,12,14-16,18,21-24H,4-5,7H2,1-3H3/t12-,14-,15+,16-,18+/m1/s1
InChI Key NTEZYMKIQJSWPQ-NDOBWRGRSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H25ClO9
Molecular Weight 420.80 g/mol
Exact Mass 420.1187101 g/mol
Topological Polar Surface Area (TPSA) 135.00 Ų
XlogP 1.40

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Globosumoside B

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.74% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.49% 96.09%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 95.58% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 94.89% 96.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.76% 86.33%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.19% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 93.19% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.62% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.78% 94.00%
CHEMBL218 P21554 Cannabinoid CB1 receptor 89.59% 96.61%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 89.22% 94.80%
CHEMBL2581 P07339 Cathepsin D 87.43% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.20% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.06% 94.45%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.30% 96.90%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.18% 92.62%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.01% 89.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.26% 89.00%
CHEMBL3194 P02766 Transthyretin 80.58% 90.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.36% 85.14%

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 139587261
LOTUS LTS0069001
wikiData Q77561369