PlantaeDB Logo
Login Sign-up

Oligostatin C

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 b58d27e2-a5e5-4254-9830-f60d859d1bcf
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides
IUPAC Name 4-[5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SMILES (Canonical) CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC(C(CO)O)C(C(C=O)O)O)CO)CO)O)O)NC4C(C(C(C(C4O)O)O)CO)O
SMILES (Isomeric) CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC(C(CO)O)C(C(C=O)O)O)CO)CO)O)O)NC4C(C(C(C(C4O)O)O)CO)O
InChI InChI=1S/C31H55NO24/c1-7-13(32-14-15(40)8(2-33)16(41)20(45)19(14)44)18(43)23(48)29(51-7)55-27-11(5-36)53-31(25(50)22(27)47)56-28-12(6-37)52-30(24(49)21(28)46)54-26(10(39)4-35)17(42)9(38)3-34/h3,7-33,35-50H,2,4-6H2,1H3
InChI Key FMMZPCNEGIECQB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C31H55NO24
Molecular Weight 825.80 g/mol
Exact Mass 825.31140162 g/mol
Topological Polar Surface Area (TPSA) 428.00 Ų
XlogP -11.10

Synonyms

Top
78025-06-6
4-[5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SF 1130 X(sub 3)
Antibiotic SF 1130 X(sub 3)
Antibiotic SF 1130X3
SCHEMBL5159710
DTXSID80999281
D-Glucose, O-4,6-dideoxy-4-((2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (1S-(1-alpha,2-alpha,3-beta,4-alpha,5-beta,6-beta))-
4,6-dideoxy-4-{[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexose

2D Structure

Top
2D Structure of Oligostatin C

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 96.35% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.90% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 93.77% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.37% 85.14%
CHEMBL226 P30542 Adenosine A1 receptor 92.67% 95.93%
CHEMBL2581 P07339 Cathepsin D 87.68% 98.95%
CHEMBL3714130 P46095 G-protein coupled receptor 6 86.96% 97.36%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.74% 99.17%
CHEMBL4208 P20618 Proteasome component C5 86.66% 90.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.19% 86.92%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 84.80% 91.24%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 83.96% 98.75%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.94% 97.29%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.67% 95.89%
CHEMBL2094135 Q96BI3 Gamma-secretase 82.49% 98.05%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.08% 89.00%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 81.50% 95.58%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.08% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.62% 96.00%

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 174107
LOTUS LTS0231395
wikiData Q82992231