Cryptophycin 175
| Internal ID | 2329578c-151e-4d07-b559-cf14bfaf8354 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H42Cl2N2O7/c1-21(2)16-30-35(43)45-29(22(3)14-15-24-10-7-6-8-11-24)12-9-13-31(40)39-28(33(41)38-20-23(4)34(42)46-30)19-25-17-26(36)32(44-5)27(37)18-25/h6-11,13-15,17-18,21-23,28-30H,12,16,19-20H2,1-5H3,(H,38,41)(H,39,40)/b13-9+,15-14+/t22-,23-,28-,29+,30+/m1/s1 |
| InChI Key | WTWQLCDDGYJOLG-GAWFYVAGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C35H42Cl2N2O7 |
| Molecular Weight | 673.60 g/mol |
| Exact Mass | 672.2369071 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 7.70 |
| DTXSID701236352 |
| Cryptophycin-175 |
| (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| (3S,6R,10R,13E,16S)-10-((3,5-dichloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-((E,2R)-4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| RefChem:128617 |
| DTXCID401667524 |
| 186593-83-9 |
| CHEMBL506269 |
| CHEBI:200097 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.96% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.25% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.99% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.62% | 94.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 95.42% | 89.44% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 93.13% | 89.67% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 92.97% | 97.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.27% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.68% | 94.73% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.45% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.30% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.38% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.32% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.32% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.04% | 97.09% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.84% | 92.12% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.57% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.03% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.00% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.99% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.22% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.05% | 95.50% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.72% | 98.57% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.55% | 92.98% |
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.
| Neurolaena lobata |
| PubChem | 10604522 |
| NPASS | NPC49315 |
| ChEMBL | CHEMBL506269 |
| LOTUS | LTS0207508 |
| wikiData | Q75069195 |