(14,16-Diacetyloxy-10-benzoyloxy-1,9,15-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate
| Internal ID | 59722a23-d93f-41fe-8627-8326a433c764 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (14,16-diacetyloxy-10-benzoyloxy-1,9,15-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate |
| SMILES (Canonical) | CC1C2C(O2)C(C(=O)C(C(C(=C)C(C3C(C(C(C3(C1=O)O)OC(=O)C)(C)O)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)(C)C |
| SMILES (Isomeric) | CC1C2C(O2)C(C(=O)C(C(C(=C)C(C3C(C(C(C3(C1=O)O)OC(=O)C)(C)O)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)(C)C |
| InChI | InChI=1S/C38H42O14/c1-18-26(51-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,46)35(49-21(4)40)38(24,47)29(42)19(2)28-32(50-28)36(5,6)30(43)25(41)27(18)52-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3 |
| InChI Key | GGNRKDBHYWEODY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42O14 |
| Molecular Weight | 722.70 g/mol |
| Exact Mass | 722.25745601 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (14,16-Diacetyloxy-10-benzoyloxy-1,9,15-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1b803700-8657-11ee-9cf3-fb0c99cec891.jpg "2D Structure of (14,16-Diacetyloxy-10-benzoyloxy-1,9,15-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.32% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.65% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.04% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.11% | 81.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.52% | 87.67% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.22% | 83.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.94% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.82% | 97.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.82% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.77% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.36% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.87% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.91% | 96.09% |
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.
| Euphorbia esula |
| Garcinia assugu |
| Garcinia bancana |
| Garcinia buchananii |
| Garcinia gummi-gutta |
| Garcinia indica |
| Garcinia pedunculata |
| Moronobea coccinea |
| PubChem | 73209527 |
| LOTUS | LTS0195602 |
| wikiData | Q105218847 |