[(5aR,6R,8S,9aS,9bR)-8-acetyloxy-6-hydroxy-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl]methyl acetate
| Internal ID | d615c8cc-7a80-4f3e-95a3-f86b81753f1c |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [(5aR,6R,8S,9aS,9bR)-8-acetyloxy-6-hydroxy-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1=C2CCC3(C(CC(C(=C)C3C2OC1=O)OC(=O)C)O)C |
| SMILES (Isomeric) | CC(=O)OCC1=C2CC[C@]3([C@@H](C[C@@H](C(=C)[C@@H]3[C@H]2OC1=O)OC(=O)C)O)C |
| InChI | InChI=1S/C19H24O7/c1-9-14(25-11(3)21)7-15(22)19(4)6-5-12-13(8-24-10(2)20)18(23)26-17(12)16(9)19/h14-17,22H,1,5-8H2,2-4H3/t14-,15+,16+,17-,19-/m0/s1 |
| InChI Key | RLPORGYBFRWYDX-ATIFRJIPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24O7 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [(5aR,6R,8S,9aS,9bR)-8-acetyloxy-6-hydroxy-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6a8c1600-8645-11ee-8096-6f6dc8e9023f.jpg "2D Structure of [(5aR,6R,8S,9aS,9bR)-8-acetyloxy-6-hydroxy-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.60% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.28% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.42% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.10% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.35% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.13% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.79% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.23% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.93% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.83% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.78% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.71% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.48% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.71% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.61% | 95.56% |
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.
| Artemisia afra |
| Artemisia anomala |
| Artemisia ludoviciana |
| PubChem | 14021352 |
| LOTUS | LTS0249840 |
| wikiData | Q105240435 |