(5R)-2-[(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methyl]-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol
| Internal ID | 7c84db86-26a6-4de5-8bd7-731b2e7cbf01 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (5R)-2-[(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methyl]-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol |
| SMILES (Canonical) | CC1CCCC2=C1C(=C3C(=C(OC3=C2O)CC4=C5C(=COC5=C(C6=CC=CC(=C64)C)OC)C)C)C |
| SMILES (Isomeric) | C[C@@H]1CCCC2=C1C(=C3C(=C(OC3=C2O)CC4=C5C(=COC5=C(C6=CC=CC(=C64)C)OC)C)C)C |
| InChI | InChI=1S/C31H32O4/c1-15-9-7-11-20-24(15)19(5)27-18(4)23(35-30(27)28(20)32)13-22-25-16(2)10-8-12-21(25)29(33-6)31-26(22)17(3)14-34-31/h8,10,12,14-15,32H,7,9,11,13H2,1-6H3/t15-/m1/s1 |
| InChI Key | ZKNMDRBVWSTTNR-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H32O4 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.70 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of (5R)-2-[(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methyl]-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6c8f3ac0-8581-11ee-abf5-f10eb1526350.jpg "2D Structure of (5R)-2-[(9-methoxy-3,5-dimethylbenzo[f][1]benzofuran-4-yl)methyl]-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol")
| 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 | 99.58% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.39% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.39% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.83% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.34% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.80% | 94.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.68% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.58% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.38% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.37% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.77% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.44% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.23% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.58% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.10% | 93.31% |
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 subsessilis |
| PubChem | 163037142 |
| LOTUS | LTS0275248 |
| wikiData | Q105378594 |