Taraxerol, acetate

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	5db1ea5e-9457-4e31-be46-ecba9775d389
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name	(4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) acetate
SMILES (Canonical)	CC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
SMILES (Isomeric)	CC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
InChI	InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h20,22,24-26H,10-19H2,1-9H3
InChI Key	FKMDSFSBFAGDCK-UHFFFAOYSA-N
Popularity	0 references in papers

Physical and Chemical Properties

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Molecular Formula	C₃₂H₅₂O₂
Molecular Weight	468.80 g/mol
Exact Mass	468.396730897 g/mol
Topological Polar Surface Area (TPSA)	26.30 Å²
XlogP	10.00

Synonyms

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10225-47-5

TARAXEROL, ACETATE

Olean-18-en-3-ol acetate

DTXSID60323146

OLEAN-18-EN-3-OL, ACETATE

NSC-403165

NSC-403167

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	97.31%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.11%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.59%	91.11%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	92.14%	82.69%
CHEMBL2581	P07339	Cathepsin D	85.86%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.31%	95.56%
CHEMBL340	P08684	Cytochrome P450 3A4	83.77%	91.19%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.59%	97.09%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	83.34%	85.30%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.16%	95.89%
CHEMBL3922	P50579	Methionine aminopeptidase 2	80.61%	97.28%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.04%	93.00%

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.

Ardisia sieboldii

Crepidiastrum denticulatum subsp. denticulatum

Elateriospermum tapos