Trichodermatide A
| Internal ID | 52dea271-bd6a-41b6-964a-2a97ad470b37 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,3S,4S,6R,9S,10S,15R,18S)-4-hexyl-9,10,15-trihydroxy-5,11,19-trioxapentacyclo[8.7.1.13,6.06,18.012,17]nonadec-12(17)-en-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O7/c1-2-3-4-5-6-14-16-11-12-18-15(8-7-13(23)19(18)25)29-22(26)17(24)9-10-21(27-14,28-16)20(12)22/h12-14,16-17,20,23-24,26H,2-11H2,1H3/t12-,13+,14-,16-,17-,20+,21+,22+/m0/s1 |
| InChI Key | KBMYUOJGZWMLOK-OBPUOHQXSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H32O7 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.90 |
| DTXSID201043782 |
| (1R,3S,4S,6R,9S,10S,15R,18S)-4-Hexyl-9,10,15-trihydroxy-5,11,19-trioxapentacyclo[8.7.1.13,6.06,18.012,17]nonadec-12(17)-en-16-one |
| 1004302-91-3 |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.43% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 95.70% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.60% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.51% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.06% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.79% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.79% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.77% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.14% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.20% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.08% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.07% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.00% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.08% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.64% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.25% | 96.38% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.91% | 91.24% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.76% | 93.67% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.44% | 95.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.94% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.94% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.36% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.24% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.21% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.17% | 97.29% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.48% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.38% | 95.56% |
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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| There are no matching plants. |
| PubChem | 24777079 |
| LOTUS | LTS0084545 |
| wikiData | Q75069656 |