Heliannuol D
| Internal ID | 7f3a9808-7b2e-44ed-bedd-64a3e83c8049 |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | 2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol |
| SMILES (Canonical) | CC1CCC(OC2=C1C=C(C(=C2)C)O)C(C)(C)O |
| SMILES (Isomeric) | CC1CCC(OC2=C1C=C(C(=C2)C)O)C(C)(C)O |
| InChI | InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3 |
| InChI Key | BIIJJHXLFCDTIZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.00 |
| 2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol |
| (+)-Heliannuol D |
| 161730-09-2 |
| CHEBI:174299 |
| 5,10-Epoxy-1,3,5-bisabolatriene-2,11-diol |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.24% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.33% | 90.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.15% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.84% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.67% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.25% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.83% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.41% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.92% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.35% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.30% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.26% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.72% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.63% | 93.18% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.92% | 86.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.39% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.65% | 95.89% |
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.
| Helianthus annuus |
| PubChem | 11425230 |
| LOTUS | LTS0191792 |
| wikiData | Q104936508 |