PlantaeDB Logo
Login Sign-up

Actinotetraose K

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 1f8dfbd7-9df1-4f13-9035-d8d9f4b45d16
Taxonomy Lipids and lipid-like molecules > Saccharolipids
IUPAC Name [(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxyoxan-3-yl] (E)-2-ethylbut-2-enoate
SMILES (Canonical) CCC(=CC)C(=O)OC1C(OC(C(C1OC(=O)C(=CC)C)O)OC2C(C(C(OC2OC3C(C(C(C(O3)COC(=O)C(=CC)C)O)O)OC4C(C(C(C(O4)CO)OC(=O)C(=CC)C)O)O)COC(=O)C(=CC)C)O)O)CO
SMILES (Isomeric) CC/C(=C\C)/C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)/C(=C/C)/C)O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C(=C/C)/C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(=O)/C(=C/C)/C)O)O)COC(=O)/C(=C/C)/C)O)O)CO
InChI InChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1
InChI Key LRNGEJFMROVYOC-NUCVMEDXSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C50H74O26
Molecular Weight 1091.10 g/mol
Exact Mass 1090.44683246 g/mol
Topological Polar Surface Area (TPSA) 378.00 Ų
XlogP -0.30

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of Actinotetraose K

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.24% 96.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 92.85% 96.61%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.72% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 91.67% 95.93%
CHEMBL3401 O75469 Pregnane X receptor 90.28% 94.73%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.06% 97.25%
CHEMBL5255 O00206 Toll-like receptor 4 89.63% 92.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.67% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.40% 99.17%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.13% 96.47%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.80% 94.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.25% 96.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.32% 89.34%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 80.41% 97.47%

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 139585270
LOTUS LTS0029221
wikiData Q77387242