(-)-Oleoside 11-methyl ester

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	079028cf-7328-43ee-bc83-8f69110cf676
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name	2-[(3Z)-3-ethylidene-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid
SMILES (Canonical)	CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)O
SMILES (Isomeric)	C/C=C\1/C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)O
InChI	InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6,8,10,12-14,16-18,21-23H,4-5H2,1-2H3,(H,19,20)/b7-3-
InChI Key	XSCVKBFEPYGZSL-CLTKARDFSA-N
Popularity	4 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₇H₂₄O₁₁
Molecular Weight	404.40 g/mol
Exact Mass	404.13186158 g/mol
Topological Polar Surface Area (TPSA)	172.00 Å²
XlogP	-2.00

Synonyms

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There are no found synonyms.

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	95.71%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.95%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.40%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	90.11%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.18%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.19%	96.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.16%	86.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.97%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.60%	85.14%
CHEMBL5028	O14672	ADAM10	81.23%	97.50%

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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