Aspergillide D
| Internal ID | 0c8d0930-220c-4db7-ae33-ab5ba5843f75 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3S,6R,9S,12S,15S)-6-[(4-hydroxyphenyl)methyl]-9,12-bis[(4-methoxyphenyl)methyl]-7-methyl-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H49N5O8/c1-24(2)35-40(51)45-20-6-7-33(45)37(48)41-31(21-25-10-16-29(52-4)17-11-25)36(47)42-32(22-26-12-18-30(53-5)19-13-26)39(50)44(3)34(38(49)43-35)23-27-8-14-28(46)15-9-27/h8-19,24,31-35,46H,6-7,20-23H2,1-5H3,(H,41,48)(H,42,47)(H,43,49)/t31-,32-,33-,34+,35-/m0/s1 |
| InChI Key | GXJNHGQMYBROHH-ISWDJSIVSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C40H49N5O8 |
| Molecular Weight | 727.80 g/mol |
| Exact Mass | 727.35811354 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.80% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.48% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 96.19% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.90% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.48% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.03% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.95% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.36% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.49% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.05% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.49% | 99.15% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.45% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.93% | 99.18% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.21% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.31% | 94.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.39% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.26% | 93.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.65% | 96.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.35% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.06% | 93.40% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 81.51% | 92.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.32% | 97.64% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.31% | 98.75% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.80% | 85.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.45% | 92.97% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 132496356 |
| LOTUS | LTS0083608 |
| wikiData | Q105023106 |