Chrysogeamide G

Details

• Internal ID: 8dcc33f4-bd5c-48ea-abb2-2b91e03f6a88
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
• IUPAC Name: (7S,10S,13S,16R,19S)-10-benzyl-13-methyl-16-(2-methylpropyl)-7-[(2S)-octan-2-yl]-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
• SMILES (Canonical): CCCCCCC(C)C1CC(=O)NCC(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC3=CC=CC=C3)C)CC(C)C
• SMILES (Isomeric): CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC3=CC=CC=C3)C)CC(C)C
• InChI: InChI=1S/C36H55N5O7/c1-6-7-8-10-14-24(4)30-21-31(42)37-22-32(43)41-18-13-17-29(41)35(46)39-27(19-23(2)3)34(45)38-25(5)33(44)40-28(36(47)48-30)20-26-15-11-9-12-16-26/h9,11-12,15-16,23-25,27-30H,6-8,10,13-14,17-22H2,1-5H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)/t24-,25-,27+,28-,29-,30-/m0/s1
• InChI Key: OZCGTHWHGVYKHI-QSQOWDGDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₆H₅₅N₅O₇
• Molecular Weight: 669.90 g/mol
• Exact Mass: 669.41014911 g/mol
• Topological Polar Surface Area (TPSA): 163.00 Ų
• XlogP: 5.30

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	99.92%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.73%	97.25%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	97.62%	97.64%
CHEMBL3524	P56524	Histone deacetylase 4	96.69%	92.97%
CHEMBL5103	Q969S8	Histone deacetylase 10	95.16%	90.08%
CHEMBL1902	P62942	FK506-binding protein 1A	95.10%	97.05%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.05%	96.09%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	93.95%	82.38%
CHEMBL3192	Q9BY41	Histone deacetylase 8	92.40%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.67%	95.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	91.10%	93.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.84%	95.89%
CHEMBL3359	P21462	Formyl peptide receptor 1	90.65%	93.56%
CHEMBL221	P23219	Cyclooxygenase-1	90.16%	90.17%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	89.76%	97.14%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	89.61%	91.81%
CHEMBL4462	Q8IXJ6	NAD-dependent deacetylase sirtuin 2	89.26%	90.24%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.92%	86.33%
CHEMBL321	P14780	Matrix metalloproteinase 9	88.12%	92.12%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.40%	97.09%
CHEMBL333	P08253	Matrix metalloproteinase-2	86.22%	96.31%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	85.90%	98.33%
CHEMBL5203	P33316	dUTP pyrophosphatase	84.35%	99.18%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.01%	99.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.68%	91.11%
CHEMBL4588	P22894	Matrix metalloproteinase 8	82.94%	94.66%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	82.64%	92.08%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.30%	100.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.84%	93.03%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.37%	91.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.10%	99.17%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.64%	96.47%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.53%	95.83%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.04%	96.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682068
• LOTUS: LTS0131044
• wikiData: Q105203675