7-(6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl)hepta-2,4,6-trienoic acid
| Internal ID | f287dbba-8de8-40de-92d3-e3c317b11d34 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 7-(6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl)hepta-2,4,6-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O9/c1-15-22(38-17(3)30)14-21-20(24(15)33)12-11-18-13-19(9-7-5-6-8-10-23(31)32)29(26(35)28(18,21)4)25(34)16(2)37-27(29)36/h5-12,15,18-22,24,33H,2,13-14H2,1,3-4H3,(H,31,32) |
| InChI Key | BWLNMHRUYCQUPW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O9 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 7-(6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl)hepta-2,4,6-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7b954f20-86f3-11ee-a23d-db606a873004.jpg "2D Structure of 7-(6-acetyloxy-8-hydroxy-4a,7-dimethyl-5'-methylidene-2',4,4'-trioxospiro[2,4b,5,6,7,8,8a,10a-octahydro-1H-phenanthrene-3,3'-oxolane]-2-yl)hepta-2,4,6-trienoic acid")
| 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 | 97.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.10% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.24% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.57% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.91% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.81% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.91% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.93% | 94.08% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.47% | 94.80% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.78% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
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.
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| There are no matching plants. |
| PubChem | 73242135 |
| LOTUS | LTS0069952 |
| wikiData | Q103817082 |