Dichotocejpin C

Details

• Internal ID: ba9a6acd-debb-4c15-b24d-7c349897e204
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives
• IUPAC Name: (3S,10aR)-10a-hydroxy-3-(hydroxymethyl)-2-methyl-3,10-dihydropyrazino[1,2-a]indole-1,4-dione
• InChI: InChI=1S/C13H14N2O4/c1-14-10(7-16)11(17)15-9-5-3-2-4-8(9)6-13(15,19)12(14)18/h2-5,10,16,19H,6-7H2,1H3/t10-,13+/m0/s1
• InChI Key: FHJQHCKBAXMQOE-GXFFZTMASA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26 g/mol
• Exact Mass: 262.09535693 g/mol
• Topological Polar Surface Area (TPSA): 81.10 Ų
• XlogP: -0.20

Synonyms

There are no found synonyms.

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	97.40%	96.09%
CHEMBL2581	P07339	Cathepsin D	97.23%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.87%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.21%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.07%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.56%	97.09%
CHEMBL3524	P56524	Histone deacetylase 4	84.92%	92.97%
CHEMBL4208	P20618	Proteasome component C5	80.48%	90.00%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	80.21%	89.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139583288
• LOTUS: LTS0074848
• wikiData: Q75058600