Malayenolide A
| Internal ID | 2e41cacf-afec-488b-8c40-987cb32c9711 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1S,7S,8Z,12S,13S,14S)-14-acetyloxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-3,8,16-trien-12-yl] benzoate |
| SMILES (Canonical) | CC1=CC2C(=C(C(=O)O2)C)CC3C(=CCC(C3(C(CC1)OC(=O)C4=CC=CC=C4)C)OC(=O)C)C |
| SMILES (Isomeric) | C/C/1=C/[C@H]2C(=C(C(=O)O2)C)C[C@H]3C(=CC[C@@H]([C@@]3([C@H](CC1)OC(=O)C4=CC=CC=C4)C)OC(=O)C)C |
| InChI | InChI=1S/C29H34O6/c1-17-11-13-26(35-28(32)21-9-7-6-8-10-21)29(5)23(18(2)12-14-25(29)33-20(4)30)16-22-19(3)27(31)34-24(22)15-17/h6-10,12,15,23-26H,11,13-14,16H2,1-5H3/b17-15-/t23-,24-,25-,26-,29+/m0/s1 |
| InChI Key | BYTXNCPKVDXTRC-DIAZDVSWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H34O6 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 4.70 |
| ((1S,7S,8Z,12S,13S,14S)-14-acetyloxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo(11.4.0.03,7)heptadeca-3,8,16-trien-12-yl) benzoate |
| [(1S,7S,8Z,12S,13S,14S)-14-acetyloxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-3,8,16-trien-12-yl] benzoate |
| RefChem:155369 |
| 225662-09-9 |
| CHEMBL455344 |
| 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 | 96.58% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.94% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.46% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.21% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.49% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.78% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.48% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.83% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 84.56% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.53% | 95.89% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.26% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.89% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.34% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 10696013 |
| LOTUS | LTS0097618 |
| wikiData | Q104949925 |