[(1S,2S,3S,5R,6R,8S,10Z,12R,13S,14S,16R,17R,18S)-18-benzyl-6,13-dihydroxy-6,8,14,16-tetramethyl-7,20-dioxo-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-en-2-yl] acetate
| Internal ID | 8ff8dfde-4e14-43ae-8f58-c6bca1c0b3dd |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | [(1S,2S,3S,5R,6R,8S,10Z,12R,13S,14S,16R,17R,18S)-18-benzyl-6,13-dihydroxy-6,8,14,16-tetramethyl-7,20-dioxo-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-en-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H37NO8/c1-15-10-9-13-18-23(34)29(5)28(4,39-29)21-19(14-17-11-7-6-8-12-17)31-26(35)30(18,21)25(37-16(2)32)20-24(38-20)27(3,36)22(15)33/h6-9,11-13,15,18-21,23-25,34,36H,10,14H2,1-5H3,(H,31,35)/b13-9-/t15-,18-,19-,20+,21+,23-,24+,25+,27-,28+,29-,30-/m0/s1 |
| InChI Key | RGIWEJOMKQEMPD-ZKTJZGRJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H37NO8 |
| Molecular Weight | 539.60 g/mol |
| Exact Mass | 539.25191714 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3S,5R,6R,8S,10Z,12R,13S,14S,16R,17R,18S)-18-benzyl-6,13-dihydroxy-6,8,14,16-tetramethyl-7,20-dioxo-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-en-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/fdabefc0-865c-11ee-bc47-a3df97914187.jpg "2D Structure of [(1S,2S,3S,5R,6R,8S,10Z,12R,13S,14S,16R,17R,18S)-18-benzyl-6,13-dihydroxy-6,8,14,16-tetramethyl-7,20-dioxo-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-en-2-yl] acetate")
| 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 | 98.97% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.63% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.54% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.92% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.87% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.51% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.57% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.82% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.47% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.17% | 97.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.04% | 90.00% |
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 | 163187283 |
| LOTUS | LTS0038725 |
| wikiData | Q105235889 |