Jaeschkeanadiol

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	d097dde6-e90e-49c5-923c-1edf6509597b
Taxonomy	Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name	(1R,3aR,8S,8aS)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,8-diol
SMILES (Canonical)	CC1=CCC2(CCC(C2C(C1)O)(C(C)C)O)C
SMILES (Isomeric)	CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)O)(C(C)C)O)C
InChI	InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)6-5-11(3)9-12(16)13(14)15/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13+,14-,15+/m0/s1
InChI Key	SUAPQGLGNKUSLY-LJISPDSOSA-N
Popularity	9 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₂₆O₂
Molecular Weight	238.37 g/mol
Exact Mass	238.193280068 g/mol
Topological Polar Surface Area (TPSA)	40.50 Å²
XlogP	2.60

Synonyms

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(1r,3ar,8s,8as)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,8-diol

Jaeskeanadiol

41690-67-9

CHEMBL516572

MEGxp0_001821

SCHEMBL14191665

ACon0_000432

ACon1_002070

CHEBI:193021

SUAPQGLGNKUSLY-LJISPDSOSA-N

There are more than 10 synonyms. If you wish to see them all click here.

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	94.16%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.69%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.33%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.50%	94.45%
CHEMBL221	P23219	Cyclooxygenase-1	88.32%	90.17%
CHEMBL2581	P07339	Cathepsin D	88.08%	98.95%
CHEMBL2996	Q05655	Protein kinase C delta	87.21%	97.79%
CHEMBL1937	Q92769	Histone deacetylase 2	85.87%	94.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.06%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.14%	93.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.76%	97.09%

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.