Lyratol C

Details

• Internal ID: 7de67021-b244-42b5-b754-f24d6050ae7b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• IUPAC Name: (1R,2R,4aR,6S,8aS)-6-(1,2-dihydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2-diol
• InChI: InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15?/m0/s1
• InChI Key: QLYUSONKBWKHRY-MKGDQNAVSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₄
• Molecular Weight: 270.36 g/mol
• Exact Mass: 270.18310931 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 0.20

Synonyms

• (1R,2R,4aR,6S,8aS)-6-[(2S)-1,2-dihydroxypropan-2-yl]-8a-methyl-4-methylidenedecahydronaphthalene-1,2-diol
• CHEBI:66607
• Q27135223

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.75%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.82%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.69%	96.09%
CHEMBL1977	P11473	Vitamin D receptor	93.27%	99.43%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.43%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	90.93%	97.79%
CHEMBL226	P30542	Adenosine A1 receptor	90.39%	95.93%
CHEMBL1871	P10275	Androgen Receptor	90.37%	96.43%
CHEMBL237	P41145	Kappa opioid receptor	89.30%	98.10%
CHEMBL233	P35372	Mu opioid receptor	89.05%	97.93%
CHEMBL5888	Q99558	Mitogen-activated protein kinase kinase kinase 14	88.93%	100.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.48%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.58%	95.89%
CHEMBL2581	P07339	Cathepsin D	83.78%	98.95%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	83.60%	87.16%
CHEMBL221	P23219	Cyclooxygenase-1	81.99%	90.17%
CHEMBL1937	Q92769	Histone deacetylase 2	81.71%	94.75%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.66%	82.69%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.74%	91.03%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.51%	95.50%

Plants that contains it

• Solanum lyratum

Cross-Links

• PubChem: 42604342
• LOTUS: LTS0129983
• wikiData: Q27135223