(7-Hydroxy-3,5-dimethyl-9-propanoyloxy-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl)methyl propanoate
Internal ID | 61ddc05f-809b-47cb-b05d-25a3146e853b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | (7-hydroxy-3,5-dimethyl-9-propanoyloxy-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl)methyl propanoate |
SMILES (Canonical) | CCC(=O)OCC1=C2C(=COC2=C(C3=C1C(CC(C3)O)C)OC(=O)CC)C |
SMILES (Isomeric) | CCC(=O)OCC1=C2C(=COC2=C(C3=C1C(CC(C3)O)C)OC(=O)CC)C |
InChI | InChI=1S/C21H26O6/c1-5-16(23)25-10-15-18-11(3)7-13(22)8-14(18)20(27-17(24)6-2)21-19(15)12(4)9-26-21/h9,11,13,22H,5-8,10H2,1-4H3 |
InChI Key | XVMJURDWENMOTK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H26O6 |
Molecular Weight | 374.40 g/mol |
Exact Mass | 374.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 86.00 Ų |
XlogP | 3.40 |
There are no found synonyms. |
![2D Structure of (7-Hydroxy-3,5-dimethyl-9-propanoyloxy-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl)methyl propanoate 2D Structure of (7-Hydroxy-3,5-dimethyl-9-propanoyloxy-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl)methyl propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e942ed60-82ff-11ee-8c81-01a601b1aa7a.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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.31% | 83.82% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.76% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.63% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.59% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.69% | 89.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.71% | 99.17% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.73% | 90.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.28% | 86.33% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.21% | 96.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.38% | 94.00% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.96% | 93.65% |
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.
Senecio lydenburgensis |
PubChem | 163065506 |
LOTUS | LTS0188951 |
wikiData | Q105342975 |