Varacin C

Details

• Internal ID: 3d83e690-d868-4048-afa9-e4bc81ae62b1
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenethylamines
• IUPAC Name: 2-(4,5-dimethoxy-1-oxo-1lambda4,2,3-benzotrithiol-7-yl)ethanamine
• InChI: InChI=1S/C10H13NO3S3/c1-13-7-5-6(3-4-11)10-9(8(7)14-2)15-16-17(10)12/h5H,3-4,11H2,1-2H3
• InChI Key: MPXUQNNQMHRHJD-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃NO₃S₃
• Molecular Weight: 291.40 g/mol
• Exact Mass: 291.00575680 g/mol
• Topological Polar Surface Area (TPSA): 131.00 Ų
• XlogP: 0.90

Synonyms

• CHEMBL4280973
• 2-(4,5-Dimethoxy-1-oxo-1lambda4,2,3-benzotrithiol-7-yl)ethanamine

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.92%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.59%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.11%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.90%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.90%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.65%	95.56%
CHEMBL2535	P11166	Glucose transporter	86.06%	98.75%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	85.55%	89.62%
CHEMBL1255126	O15151	Protein Mdm4	84.96%	90.20%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.63%	94.00%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	82.72%	95.48%
CHEMBL4581	P52732	Kinesin-like protein 1	82.08%	93.18%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.61%	95.50%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.20%	92.62%
CHEMBL3401	O75469	Pregnane X receptor	80.04%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10334480
• LOTUS: LTS0215970
• wikiData: Q105169811