Tenacissoside L

Details

• Internal ID: 0c7592e3-89a8-4b6f-b4c5-ea310b4d4b4e
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides
• IUPAC Name: (3S,5S,8S,9R,10S,12R,13R,14R,17S)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-8,12,14,17-tetrol
• SMILES (Canonical): CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CC(C7(C6(CCC7(C(C)O)O)O)C)O)O)C)C)C)O)OC)O
• SMILES (Isomeric): C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@]5([C@H](C4)CC[C@@]6([C@@H]5C[C@H]([C@]7([C@@]6(CC[C@]7([C@H](C)O)O)O)C)O)O)C)C)C)O)OC)O
• InChI: InChI=1S/C42H72O16/c1-20-32(45)36(52-9)33(46)37(55-20)58-35-22(3)54-31(18-27(35)51-8)57-34-21(2)53-30(17-26(34)50-7)56-25-11-12-38(5)24(16-25)10-13-41(48)28(38)19-29(44)39(6)40(47,23(4)43)14-15-42(39,41)49/h20-37,43-49H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41+,42-/m1/s1
• InChI Key: NTSQICOYYNAVPJ-XDGSDNFLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₇₂O₁₆
• Molecular Weight: 833.00 g/mol
• Exact Mass: 832.48203620 g/mol
• Topological Polar Surface Area (TPSA): 225.00 Ų
• XlogP: 0.40

Synonyms

• (3S,5S,8S,9R,10S,12R,13R,14R,17S)-3-((2R,4S,5R,6R)-5-((2S,4S,5R,6R)-5-((2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-17-((1S)-1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta(a)phenanthrene-8,12,14,17-tetrol
• (3S,5S,8S,9R,10S,12R,13R,14R,17S)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-8,12,14,17-tetrol
• RefChem:187825
• 906081-42-3

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	94.16%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.91%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.91%	97.25%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	92.47%	96.77%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.98%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.52%	97.09%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	91.12%	95.89%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.24%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	87.09%	94.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.59%	89.00%
CHEMBL4073	P09237	Matrix metalloproteinase 7	85.86%	97.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.51%	100.00%
CHEMBL2581	P07339	Cathepsin D	84.64%	98.95%
CHEMBL344	Q99705	Melanin-concentrating hormone receptor 1	84.36%	92.50%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	84.32%	96.38%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	84.18%	95.71%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.79%	97.14%
CHEMBL4618	P09960	Leukotriene A4 hydrolase	83.48%	97.86%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.28%	96.47%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	83.16%	96.21%
CHEMBL1163125	O60885	Bromodomain-containing protein 4	82.80%	97.31%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.41%	92.62%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	82.05%	98.46%
CHEMBL2782	P35610	Acyl coenzyme A:cholesterol acyltransferase 1	81.02%	91.65%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	80.90%	96.25%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	80.80%	95.58%
CHEMBL2959	Q08881	Tyrosine-protein kinase ITK/TSK	80.64%	95.00%
CHEMBL4302	P08183	P-glycoprotein 1	80.54%	92.98%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.44%	100.00%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	80.37%	97.50%
CHEMBL2094135	Q96BI3	Gamma-secretase	80.31%	98.05%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	80.22%	92.86%

Plants that contains it

• Gongronemopsis tenacissima

Cross-Links

• PubChem: 11657939
• LOTUS: LTS0076927
• wikiData: Q105185642