Lycogalinoside B

Details

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Internal ID a155873a-827b-4c15-b77b-bc61e4f2c805
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides
IUPAC Name (2R)-2-[(1E,3S,5E,7E,9R,11S,12R,13S)-12-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,7,9,11,13-pentamethyl-10-oxohexadeca-1,5,7-trienyl]-2,3-dihydropyran-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H60O11/c1-9-12-23(4)36(49-38-35(44)34(43)37(27(8)46-38)48-31-20-29(39)33(42)26(7)45-31)25(6)32(41)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-30(40)47-28/h10-11,14,16-19,21,23-29,31,33-39,42-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23-,24+,25+,26+,27+,28+,29+,31-,33+,34+,35+,36+,37-,38-/m0/s1
InChI Key NNIKSBGUOULFOA-QSZIIDAQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C38H60O11
Molecular Weight 692.90 g/mol
Exact Mass 692.41356273 g/mol
Topological Polar Surface Area (TPSA) 161.00 Ų
XlogP 5.20

Synonyms

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Q57281678

2D Structure

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2D Structure of Lycogalinoside B

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 97.87% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.22% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.79% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.29% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.03% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.08% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.72% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.45% 99.17%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 87.41% 91.07%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.76% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.27% 99.23%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.35% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.22% 97.25%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.06% 96.47%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.04% 85.14%
CHEMBL340 P08684 Cytochrome P450 3A4 83.30% 91.19%
CHEMBL4208 P20618 Proteasome component C5 83.10% 90.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.97% 93.56%
CHEMBL255 P29275 Adenosine A2b receptor 82.53% 98.59%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.48% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.24% 95.89%
CHEMBL4040 P28482 MAP kinase ERK2 81.75% 83.82%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.19% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.03% 96.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.75% 89.34%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.20% 100.00%

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 101260708
LOTUS LTS0069037
wikiData Q105182155