Streptocidin D

Details

• Internal ID: 9d51676f-fa5c-4955-a928-9e2333912a1b
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: 3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3,24-dibenzyl-15-(1H-indol-3-ylmethyl)-6,27-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
• InChI: InChI=1S/C65H90N14O12/c1-36(2)29-46-59(85)77-51(32-40-19-11-8-12-20-40)65(91)79-28-16-24-52(79)63(89)76-47(30-37(3)4)58(84)73-48(31-39-17-9-7-10-18-39)60(86)75-50(34-54(68)81)61(87)70-45(25-26-53(67)80)57(83)74-49(33-41-35-69-43-22-14-13-21-42(41)43)62(88)78-55(38(5)6)64(90)71-44(23-15-27-66)56(82)72-46/h7-14,17-22,35-38,44-52,55,69H,15-16,23-34,66H2,1-6H3,(H2,67,80)(H2,68,81)(H,70,87)(H,71,90)(H,72,82)(H,73,84)(H,74,83)(H,75,86)(H,76,89)(H,77,85)(H,78,88)/t44-,45-,46-,47-,48+,49-,50-,51+,52-,55-/m0/s1
• InChI Key: XXRDLHONNPJJFW-GQOWOHCOSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆₅H₉₀N₁₄O₁₂
• Molecular Weight: 1259.50 g/mol
• Exact Mass: 1258.68626436 g/mol
• Topological Polar Surface Area (TPSA): 410.00 Ų
• XlogP: 3.00

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	99.79%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.41%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.35%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.13%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	97.85%	83.82%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.82%	85.14%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	96.94%	97.64%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.00%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.17%	97.09%
CHEMBL5805	Q9NR97	Toll-like receptor 8	93.95%	96.25%
CHEMBL333	P08253	Matrix metalloproteinase-2	93.52%	96.31%
CHEMBL5608	Q16288	NT-3 growth factor receptor	93.43%	95.89%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	91.37%	96.47%
CHEMBL5103	Q969S8	Histone deacetylase 10	90.99%	90.08%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	90.46%	90.71%
CHEMBL3310	Q96DB2	Histone deacetylase 11	88.80%	88.56%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	88.75%	96.11%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	88.60%	95.00%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	88.35%	82.38%
CHEMBL221	P23219	Cyclooxygenase-1	87.44%	90.17%
CHEMBL213	P08588	Beta-1 adrenergic receptor	86.78%	95.56%
CHEMBL3524	P56524	Histone deacetylase 4	85.93%	92.97%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	85.37%	93.03%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	84.19%	98.33%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	82.65%	92.32%
CHEMBL5203	P33316	dUTP pyrophosphatase	82.29%	99.18%
CHEMBL4071	P08311	Cathepsin G	81.89%	94.64%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.37%	86.33%
CHEMBL1293287	P14735	Insulin-degrading enzyme	81.02%	88.10%
CHEMBL1902	P62942	FK506-binding protein 1A	80.92%	97.05%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	80.88%	88.42%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.59%	89.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10748923
• LOTUS: LTS0025997
• wikiData: Q77516430