9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
Internal ID | 895e9428-3a1d-4218-96a4-bed34db2a1a1 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
IUPAC Name | 9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one |
SMILES (Canonical) | CC1C2CCC3(CCCC(C3C2OC1=O)(C)O)C |
SMILES (Isomeric) | CC1C2CCC3(CCCC(C3C2OC1=O)(C)O)C |
InChI | InChI=1S/C15H24O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h9-12,17H,4-8H2,1-3H3 |
InChI Key | JVVPNUMNEHBXGD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H24O3 |
Molecular Weight | 252.35 g/mol |
Exact Mass | 252.17254462 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 2.90 |
AKOS040736743 |
![2D Structure of 9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one 2D Structure of 9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/9-hydroxy-35a9-trimethyl-3a456789a9b-octahydro-3h-benzog1benzofuran-2-one.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.29% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.37% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.12% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.37% | 93.04% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.88% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.93% | 92.94% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.06% | 94.75% |
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 valentina |
Aucklandia costus |
Conocephalum japonicum |
PubChem | 14486956 |
LOTUS | LTS0210058 |
wikiData | Q105135990 |