Dracaenoside F

Details

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Internal ID cf6840e2-f343-410b-b01d-1cf7b72ccf0b
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins
IUPAC Name (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2R,4S,5'R,6R,7S,8R,9R,12S,13R,16S)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C39H62O13/c1-18-8-13-39(47-17-18)19(2)27-25(52-39)15-38(46)24-7-6-21-14-22(9-11-36(21,4)23(24)10-12-37(27,38)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)20(3)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,39-/m1/s1
InChI Key NSZNCLIIQOMCSO-PSXMPFNDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C39H62O13
Molecular Weight 738.90 g/mol
Exact Mass 738.41904203 g/mol
Topological Polar Surface Area (TPSA) 197.00 Ų
XlogP 1.70

Synonyms

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109460-83-5
orb2663484
HY-N13104

2D Structure

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2D Structure of Dracaenoside F

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.01% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.35% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.37% 97.25%
CHEMBL226 P30542 Adenosine A1 receptor 95.49% 95.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 93.05% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.61% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.75% 95.89%
CHEMBL218 P21554 Cannabinoid CB1 receptor 91.04% 96.61%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 90.40% 89.05%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.28% 86.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 89.81% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.06% 89.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.17% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.79% 94.45%
CHEMBL5255 O00206 Toll-like receptor 4 84.79% 92.50%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.31% 92.94%
CHEMBL1914 P06276 Butyrylcholinesterase 83.70% 95.00%
CHEMBL2581 P07339 Cathepsin D 83.57% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.20% 93.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.81% 94.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.59% 100.00%
CHEMBL2243 O00519 Anandamide amidohydrolase 80.81% 97.53%

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.
Dracaena cochinchinensis

Cross-Links

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PubChem 102342843
LOTUS LTS0054765
wikiData Q105185319