Hirsutatin B
| Internal ID | 34828581-0510-4b66-a522-c195bc1c7f97 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9S,12S,15S,18S)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-15-[(4-methoxyphenyl)methyl]-13-methyl-12,18-bis(2-methylpropyl)-3-propan-2-yl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54N4O11/c1-18(2)14-26-30(42)38-28(21(7)41)32(44)37-25(17-40)34(46)50-29(20(5)6)35(47)49-27(15-19(3)4)31(43)36-24(33(45)39(26)8)16-22-10-12-23(48-9)13-11-22/h10-13,18-21,24-29,40-41H,14-17H2,1-9H3,(H,36,43)(H,37,44)(H,38,42)/t21-,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChI Key | ZYONQIAFAWQOOQ-AKFJUFKASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H54N4O11 |
| Molecular Weight | 706.80 g/mol |
| Exact Mass | 706.37890855 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 4.40 |
| CHEMBL504220 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.97% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.96% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.18% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 92.76% | 98.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.38% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.26% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.91% | 95.89% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.42% | 89.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.27% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.69% | 90.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.73% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.91% | 92.62% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.60% | 97.29% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.10% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.50% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.49% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.22% | 98.59% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.98% | 93.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.83% | 99.15% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.26% | 90.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.98% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.82% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.47% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.38% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.02% | 90.08% |
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 | 11621786 |
| LOTUS | LTS0040243 |
| wikiData | Q75068540 |