Boydine A

Details

• Internal ID: 8e1e47d3-3dfc-4772-abfa-d2153d36ef8c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (1R,4S,5S,11R,14S,15S)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,8,16,18-tetraene-2,12-dione
• InChI: InChI=1S/C20H22N2O4S2/c1-27-19-9-11-5-3-7-13(23)15(11)21(19)18(26)20(28-2)10-12-6-4-8-14(24)16(12)22(20)17(19)25/h3-8,13-16,23-24H,9-10H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
• InChI Key: YZIXVRLPOWUHSZ-PSJNWGMYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂N₂O₄S₂
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.10209953 g/mol
• Topological Polar Surface Area (TPSA): 132.00 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
CHEMBL4040	P28482	MAP kinase ERK2	98.73%	83.82%
CHEMBL2581	P07339	Cathepsin D	94.31%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.85%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.78%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.56%	91.11%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.76%	93.40%
CHEMBL4208	P20618	Proteasome component C5	85.83%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.52%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.30%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587360
• LOTUS: LTS0183588
• wikiData: Q77564297