Pseudboindole A

Details

• Internal ID: 96aada64-a29d-47a2-b440-8bc20b6f080d
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
• IUPAC Name: 1,3-bis(1H-indol-3-yl)propan-2-ol
• InChI: InChI=1S/C19H18N2O/c22-15(9-13-11-20-18-7-3-1-5-16(13)18)10-14-12-21-19-8-4-2-6-17(14)19/h1-8,11-12,15,20-22H,9-10H2
• InChI Key: HNNTXCXUUPWTBS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₈N₂O
• Molecular Weight: 290.40 g/mol
• Exact Mass: 290.141913202 g/mol
• Topological Polar Surface Area (TPSA): 51.80 Ų
• XlogP: 3.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.13%	91.11%
CHEMBL3192	Q9BY41	Histone deacetylase 8	93.66%	93.99%
CHEMBL213	P08588	Beta-1 adrenergic receptor	91.85%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.18%	98.95%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	90.31%	89.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.03%	96.09%
CHEMBL3310	Q96DB2	Histone deacetylase 11	89.82%	88.56%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.99%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.21%	94.62%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	84.75%	83.10%
CHEMBL2535	P11166	Glucose transporter	83.29%	98.75%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.25%	92.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682886
• LOTUS: LTS0053294
• wikiData: Q105030977