[6-methyl-3-methylidene-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6,6a,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 3-phenylprop-2-enoate
| Internal ID | ac4066de-52e5-4f8b-bb6d-015a9f1eb254 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | [6-methyl-3-methylidene-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6,6a,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34O11/c1-14-10-19(39-21(33)9-8-16-6-4-3-5-7-16)23-15(2)29(37)41-28(23)24-17(11-18(32)22(14)24)13-38-30-27(36)26(35)25(34)20(12-31)40-30/h3-9,11,14,19-20,22-28,30-31,34-36H,2,10,12-13H2,1H3 |
| InChI Key | SNDLGLIELUBHKN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O11 |
| Molecular Weight | 570.60 g/mol |
| Exact Mass | 570.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of [6-methyl-3-methylidene-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6,6a,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/54167d50-8585-11ee-9da3-93e50cc6015a.jpg "2D Structure of [6-methyl-3-methylidene-2,7-dioxo-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6,6a,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.66% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.14% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.28% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.71% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.51% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.50% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.13% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.85% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.48% | 94.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.99% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.05% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.47% | 99.17% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 85.41% | 88.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.65% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.08% | 95.93% |
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 | 162861887 |
| LOTUS | LTS0072007 |
| wikiData | Q105256352 |