Lasiodipline C

Details

• Internal ID: 30befaf4-efe9-442a-8ad9-fac0a2ce40cd
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (6S)-1,6-dimethyl-6-methylsulfanylpiperazine-2,3,5-trione
• SMILES (Canonical): CC1(C(=O)NC(=O)C(=O)N1C)SC
• SMILES (Isomeric): C[C@@]1(C(=O)NC(=O)C(=O)N1C)SC
• InChI: InChI=1S/C7H10N2O3S/c1-7(13-3)6(12)8-4(10)5(11)9(7)2/h1-3H3,(H,8,10,12)/t7-/m0/s1
• InChI Key: LLTTXBHVSXYWOG-ZETCQYMHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₀N₂O₃S
• Molecular Weight: 202.23 g/mol
• Exact Mass: 202.04121336 g/mol
• Topological Polar Surface Area (TPSA): 91.80 Ų
• XlogP: 0.00

Synonyms

• RefChem:152407
• (6S)-1,6-dimethyl-6-methylsulfanylpiperazine-2,3,5-trione
• (6S)-3-Hydroxy-1,6-dimethyl-6-(methylsulphanyl)-1,2,5,6-tetrahydropyrazine-2,5-dione
• CHEBI:199736
• (6S)-1,6-dimethyl-6-methylsulanylpiperazine-2,3,5-trione

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
CHEMBL2581	P07339	Cathepsin D	90.38%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.35%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	89.69%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.19%	96.09%
CHEMBL1937	Q92769	Histone deacetylase 2	82.78%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.21%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583800
• LOTUS: LTS0133330
• wikiData: Q75067633