Basidiochrome

Details

• Internal ID: 5618bc29-e8a9-4459-bfe4-e62dbf0d5434
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: (Z)-5-[[(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-4-[[(Z)-4-carboxy-3-methylbut-2-enoyl]-hydroxyamino]butyl]amino]-5-[[(Z)-4-carboxy-3-methylbut-2-enoyl]-hydroxyamino]-1-oxopentan-2-yl]amino]-5-oxopentyl]-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
• SMILES (Canonical): CC(=CC(=O)N(CCCC(C(=O)NC(CCCN(C(=O)C=C(C)CC(=O)O)O)C(=O)NC(CCCN(C(=O)C=C(C)CC(=O)O)O)C(=O)O)N)O)CC(=O)O
• SMILES (Isomeric): C/C(=C/C(=O)N(CCC[C@@H](C(=O)N[C@@H](CCCN(C(=O)/C=C(/C)\CC(=O)O)O)C(=O)N[C@@H](CCCN(C(=O)/C=C(/C)\CC(=O)O)O)C(=O)O)N)O)/CC(=O)O
• InChI: InChI=1S/C33H50N6O16/c1-19(16-28(43)44)13-25(40)37(53)10-4-7-22(34)31(49)35-23(8-5-11-38(54)26(41)14-20(2)17-29(45)46)32(50)36-24(33(51)52)9-6-12-39(55)27(42)15-21(3)18-30(47)48/h13-15,22-24,53-55H,4-12,16-18,34H2,1-3H3,(H,35,49)(H,36,50)(H,43,44)(H,45,46)(H,47,48)(H,51,52)/b19-13-,20-14-,21-15-/t22-,23-,24-/m0/s1
• InChI Key: SPXOXIQBIJJPEQ-PWMMCTPASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₅₀N₆O₁₆
• Molecular Weight: 786.80 g/mol
• Exact Mass: 786.32832953 g/mol
• Topological Polar Surface Area (TPSA): 355.00 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
CHEMBL4040	P28482	MAP kinase ERK2	97.37%	83.82%
CHEMBL2581	P07339	Cathepsin D	97.23%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.05%	96.09%
CHEMBL236	P41143	Delta opioid receptor	96.61%	99.35%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.98%	99.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	92.71%	93.56%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	92.67%	93.10%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	92.47%	92.29%
CHEMBL2514	O95665	Neurotensin receptor 2	91.98%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.65%	96.95%
CHEMBL1255126	O15151	Protein Mdm4	91.53%	90.20%
CHEMBL221	P23219	Cyclooxygenase-1	90.87%	90.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	90.69%	97.21%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	89.97%	98.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	88.17%	93.00%
CHEMBL340	P08684	Cytochrome P450 3A4	87.89%	91.19%
CHEMBL4618	P09960	Leukotriene A4 hydrolase	86.47%	97.86%
CHEMBL3776	Q14790	Caspase-8	85.94%	97.06%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.43%	94.45%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.06%	100.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.77%	96.00%
CHEMBL3629	P68400	Casein kinase II alpha	84.35%	98.89%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.02%	100.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.92%	94.33%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	81.91%	95.64%
CHEMBL2413	P32246	C-C chemokine receptor type 1	81.66%	89.50%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.64%	95.50%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.35%	96.47%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.01%	95.56%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	80.27%	96.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139586076
• LOTUS: LTS0226101
• wikiData: Q77498271