Tomophagusin D
| Internal ID | 47fece15-9d64-433a-a46c-1aaddb8280d4 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 3-[(3aR,5aR,6R,8aR,10aR)-5a,8a-dimethyl-6-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,3,5,6,7,8,10,10a-octahydroindeno[5,4-e][2]benzofuran-3a-yl]propanoic acid |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2CCC3(C2(CC=C4C3=CCC5C4(COC5)CCC(=O)O)C)C |
| SMILES (Isomeric) | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@]4(COC5)CCC(=O)O)C)C |
| InChI | InChI=1S/C28H38O5/c1-17-5-8-23(33-25(17)31)18(2)20-9-12-27(4)21-7-6-19-15-32-16-28(19,14-11-24(29)30)22(21)10-13-26(20,27)3/h5,7,10,18-20,23H,6,8-9,11-16H2,1-4H3,(H,29,30)/t18-,19-,20+,23-,26+,27-,28+/m0/s1 |
| InChI Key | BTNCFAHIQWSSRN-SDPFRIKESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H38O5 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.68% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.29% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.97% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.79% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.22% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.44% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.26% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.87% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.13% | 100.00% |
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 | 145720889 |
| LOTUS | LTS0181827 |
| wikiData | Q104945750 |