Depressoside C

Details

• Internal ID: b2d9bc3d-95aa-44af-aa3b-bd404c5babec
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins > Cucurbitacin glycosides
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methyl-4-[(1S,4R,5R,6S,7R,9S,11S,12S,15R,17S,20R)-4,6,11,16,16-pentamethyl-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]but-2-enoxy]oxane-3,4,5-triol
• InChI: InChI=1S/C42H68O13/c1-20(18-51-36-34(49)32(47)30(45)24(16-43)53-36)7-8-22-21(2)29-23(52-22)15-40(6)27-10-9-26-38(3,4)28(55-37-35(50)33(48)31(46)25(17-44)54-37)11-12-41(26)19-42(27,41)14-13-39(29,40)5/h7,21-37,43-50H,8-19H2,1-6H3/b20-7+/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,39-,40+,41-,42+/m1/s1
• InChI Key: JCWIRDMQZKTQRF-NOYXQPRISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₆₈O₁₃
• Molecular Weight: 781.00 g/mol
• Exact Mass: 780.46599222 g/mol
• Topological Polar Surface Area (TPSA): 208.00 Ų
• XlogP: 3.80

Synonyms

There are no found synonyms.

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	98.31%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	95.74%	96.61%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.68%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.67%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.74%	97.09%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	87.46%	89.05%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	87.28%	95.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.09%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.75%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.23%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.71%	86.33%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	85.46%	96.21%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	83.61%	91.24%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.46%	96.95%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.18%	100.00%
CHEMBL220	P22303	Acetylcholinesterase	81.81%	94.45%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.47%	93.00%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	80.90%	92.86%

Plants that contains it

• Corchorus depressus

Cross-Links

• PubChem: 102007574
• LOTUS: LTS0177529
• wikiData: Q105125197