O-Ethylcubebin
Internal ID | 6c0a9f38-9f7d-47f9-b8ae-3f70a61e2914 |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans |
IUPAC Name | 5-[[4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole |
SMILES (Canonical) | CCOC1C(C(CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
SMILES (Isomeric) | CCOC1C(C(CO1)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 |
InChI | InChI=1S/C22H24O6/c1-2-23-22-17(8-15-4-6-19-21(10-15)28-13-26-19)16(11-24-22)7-14-3-5-18-20(9-14)27-12-25-18/h3-6,9-10,16-17,22H,2,7-8,11-13H2,1H3 |
InChI Key | DPOGOONVHHNDDP-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H24O6 |
Molecular Weight | 384.40 g/mol |
Exact Mass | 384.15728848 g/mol |
Topological Polar Surface Area (TPSA) | 55.40 Ų |
XlogP | 4.30 |
CHEBI:175908 |
DTXSID601140558 |
1,3-Benzodioxole, 5,5'-[(2-ethoxytetrahydro-3,4-furandiyl)bis(methylene)]bis- |
5-[[4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole |
146830-09-3 |
5-((4-(benzo[d][1,3]dioxol-5-ylmethyl)-5-ethoxy-tetrahydrofuran-3-yl)methyl)-benzo[d][1,3]dioxole |
![2D Structure of O-Ethylcubebin 2D Structure of O-Ethylcubebin](https://plantaedb.com/storage/docs/compounds/2023/11/o-ethylcubebin.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 |
---|---|---|---|---|
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 98.20% | 94.80% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.82% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.82% | 96.77% |
CHEMBL2581 | P07339 | Cathepsin D | 94.22% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.02% | 91.11% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.51% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
CHEMBL261 | P00915 | Carbonic anhydrase I | 84.63% | 96.76% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.62% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.47% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.54% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.10% | 99.17% |
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.
Cleonia lusitanica |
Fritillaria thunbergii |
Helianthus strumosus |
Juniperus communis |
Mikania triangularis |
Pinus sylvestris var. hamata |
Piper guineense |
PubChem | 13939336 |
LOTUS | LTS0054237 |
wikiData | Q105224268 |