Hymenistatin I
| Internal ID | d5546c16-cd5b-4a06-8138-992f2707b567 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (1S,7S,10S,13S,19S,22S,25S,28S)-25,28-bis[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-22-(2-methylpropyl)-13-propan-2-yl-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H72N8O9/c1-9-28(7)38-44(61)52-39(29(8)10-2)47(64)55-23-13-16-36(55)45(62)53-21-11-14-34(53)42(59)49-33(25-30-17-19-31(56)20-18-30)41(58)50-37(27(5)6)46(63)54-22-12-15-35(54)43(60)48-32(24-26(3)4)40(57)51-38/h17-20,26-29,32-39,56H,9-16,21-25H2,1-8H3,(H,48,60)(H,49,59)(H,50,58)(H,51,57)(H,52,61)/t28-,29-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 |
| InChI Key | NACGNHONDBBQGE-MXKYYYADSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C47H72N8O9 |
| Molecular Weight | 893.10 g/mol |
| Exact Mass | 892.54222590 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | 5.00 |
| Hymenistatin 1 |
| Hymenistatin I |
| (1S,7S,10S,13S,19S,22S,25S,28S)-25,28-bis[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-22-(2-methylpropyl)-13-propan-2-yl-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone |
| CHEMBL2370330 |
| DTXSID801045443 |
| 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 | 99.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.30% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.32% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.13% | 94.45% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 95.32% | 90.93% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 94.15% | 96.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.08% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.94% | 94.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.35% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.14% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.08% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.93% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.64% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.97% | 92.97% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 89.81% | 99.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.69% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.00% | 97.05% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 88.57% | 94.36% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.15% | 95.93% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 87.67% | 92.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.45% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.15% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.72% | 93.40% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.25% | 99.18% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.90% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.92% | 91.76% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.82% | 97.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.26% | 91.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.04% | 88.56% |
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.
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| PubChem | 10102206 |
| LOTUS | LTS0135220 |
| wikiData | Q105176160 |