Triostan A
| Internal ID | 66a1ff89-c32d-4914-9c2b-6314e8139a02 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(1S,4S,7R,11S,14S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1 |
| InChI Key | GULVULFEAVZHHC-SZZROTLHSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C50H62N12O12S2 |
| Molecular Weight | 1087.20 g/mol |
| Exact Mass | 1086.40515781 g/mol |
| Topological Polar Surface Area (TPSA) | 352.00 Ų |
| XlogP | 2.00 |
| NSC 244425 |
| SCHEMBL938729 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.21% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.27% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.50% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.27% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.64% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.12% | 89.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.54% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.46% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.29% | 90.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.17% | 97.64% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.06% | 87.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.80% | 88.56% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.67% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.26% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.10% | 90.71% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.74% | 89.44% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.62% | 96.77% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.55% | 90.08% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.16% | 88.42% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.77% | 98.59% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.61% | 95.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.84% | 97.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.83% | 97.33% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.10% | 98.33% |
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 | 72534 |
| LOTUS | LTS0069054 |
| wikiData | Q76005852 |