Terreusinone A

Details

• Internal ID: 766129a4-be4e-42cd-ac36-e17152eb7c36
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles
• IUPAC Name: 6-[(1S)-1-methoxy-2-methylpropyl]-2-[(1R)-1-methoxy-2-methylpropyl]-1,5-dihydropyrrolo[2,3-f]indole-4,8-dione
• InChI: InChI=1S/C20H26N2O4/c1-9(2)19(25-5)13-7-11-15(21-13)18(24)12-8-14(20(26-6)10(3)4)22-16(12)17(11)23/h7-10,19-22H,1-6H3/t19-,20+
• InChI Key: KPBCXPMTKRBLKG-BGYRXZFFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆N₂O₄
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.18925731 g/mol
• Topological Polar Surface Area (TPSA): 84.20 Ų
• XlogP: 3.20

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
CHEMBL2581	P07339	Cathepsin D	97.85%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.31%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.93%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.00%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.38%	94.45%
CHEMBL1937	Q92769	Histone deacetylase 2	87.77%	94.75%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	85.52%	93.03%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.24%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	82.73%	94.73%
CHEMBL2535	P11166	Glucose transporter	81.09%	98.75%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	80.94%	96.67%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.42%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584243
• LOTUS: LTS0074490
• wikiData: Q77281387