Tsangane L 3-glucoside

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

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Details

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Internal ID	d5ddb004-44b6-4367-aee5-5b57d67c0e07
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name	2-[4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical)	CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O
SMILES (Isomeric)	CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O
InChI	InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3
InChI Key	UJRMJTIXXKZFGB-UHFFFAOYSA-N
Popularity	4 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₉H₃₄O₇
Molecular Weight	374.50 g/mol
Exact Mass	374.23045342 g/mol
Topological Polar Surface Area (TPSA)	120.00 Å²
XlogP	0.20

Synonyms

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CHEBI:169256

2-[4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2D Structure

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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	97.61%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.11%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.54%	97.25%
CHEMBL2581	P07339	Cathepsin D	91.96%	98.95%
CHEMBL218	P21554	Cannabinoid CB1 receptor	91.74%	96.61%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.09%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.67%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.45%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.20%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	84.14%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.92%	85.14%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.89%	96.47%
CHEMBL226	P30542	Adenosine A1 receptor	82.03%	95.93%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.83%	86.92%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	80.15%	92.86%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.08%	96.21%

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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