Versicoloritide C

Details

• Internal ID: c6e2ed51-73c4-4aff-ac7f-4023a9bac5ea
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: (3S,6S,12S,15S,18S)-3,12-dibenzyl-15-(hydroxymethyl)-1,4,10,13,16-pentazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
• SMILES (Canonical): C1CC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N2C1)CC4=CC=CC=C4)CC5=CC=CC=C5)CO
• SMILES (Isomeric): C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N2C1)CC4=CC=CC=C4)CC5=CC=CC=C5)CO
• InChI: InChI=1S/C31H37N5O6/c37-19-24-27(38)32-22(17-20-9-3-1-4-10-20)30(41)35-15-7-13-25(35)28(39)33-23(18-21-11-5-2-6-12-21)31(42)36-16-8-14-26(36)29(40)34-24/h1-6,9-12,22-26,37H,7-8,13-19H2,(H,32,38)(H,33,39)(H,34,40)/t22-,23-,24-,25-,26-/m0/s1
• InChI Key: DNTOQRXOEOKTNW-LROMGURASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₃₇N₅O₆
• Molecular Weight: 575.70 g/mol
• Exact Mass: 575.27438392 g/mol
• Topological Polar Surface Area (TPSA): 148.00 Ų
• XlogP: 2.00

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	99.02%	98.95%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	95.31%	97.64%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.45%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.27%	95.56%
CHEMBL3524	P56524	Histone deacetylase 4	89.76%	92.97%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.59%	97.09%
CHEMBL1902	P62942	FK506-binding protein 1A	89.56%	97.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.83%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.73%	85.14%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.96%	93.03%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.27%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.15%	91.11%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	85.26%	93.00%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	84.23%	82.38%
CHEMBL5103	Q969S8	Histone deacetylase 10	83.19%	90.08%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.08%	86.33%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.73%	96.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 54672121
• LOTUS: LTS0217248
• wikiData: Q77504470