(8-acetyloxy-6,9-dihydroxy-5a,9-dimethyl-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl)methyl acetate
Internal ID | f6f51fb0-5c8a-4be8-a9db-48c04027dadb |
Taxonomy | Organoheterocyclic compounds > Naphthofurans |
IUPAC Name | (8-acetyloxy-6,9-dihydroxy-5a,9-dimethyl-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(C3C2OC1=O)(C)O)OC(=O)C)O)C |
SMILES (Isomeric) | CC(=O)OCC1=C2CCC3(C(CC(C(C3C2OC1=O)(C)O)OC(=O)C)O)C |
InChI | InChI=1S/C19H26O8/c1-9(20)25-8-12-11-5-6-18(3)13(22)7-14(26-10(2)21)19(4,24)16(18)15(11)27-17(12)23/h13-16,22,24H,5-8H2,1-4H3 |
InChI Key | DZOYBWIJERJQJX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H26O8 |
Molecular Weight | 382.40 g/mol |
Exact Mass | 382.16276778 g/mol |
Topological Polar Surface Area (TPSA) | 119.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of (8-acetyloxy-6,9-dihydroxy-5a,9-dimethyl-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-3-yl)methyl acetate 2D Structure of (8-acetyloxy-6,9-dihydroxy-5a,9-dimethyl-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/c8be2f00-8570-11ee-a74d-51fcf06a78b8.jpg)
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 | 97.85% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.95% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.72% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.44% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.58% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.82% | 94.45% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.56% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.77% | 97.28% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.25% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.13% | 94.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.86% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.53% | 90.08% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.38% | 92.62% |
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.
Achillea fragrantissima |
Artemisia ludoviciana |
PubChem | 15627979 |
LOTUS | LTS0039004 |
wikiData | Q104991927 |