Machaeriol B
| Internal ID | 81ef0898-d648-4c9e-97ff-393220e35b57 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (6aS,9S,10aS)-3-(1-benzofuran-2-yl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H26O3/c1-14-8-9-18-17(10-14)23-19(25)11-16(13-22(23)27-24(18,2)3)21-12-15-6-4-5-7-20(15)26-21/h4-7,11-14,17-18,25H,8-10H2,1-3H3/t14-,17-,18-/m0/s1 |
| InChI Key | HCVQRSCZRRQWTK-WBAXXEDZSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H26O3 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 42.60 Ų |
| XlogP | 6.30 |
| (6aS,9S,10aS)-3-(1-benzofuran-2-yl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo(c)chromen-1-ol |
| (6aS,9S,10aS)-3-(1-benzofuran-2-yl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol |
| RefChem:154947 |
| 377077-53-7 |
| CHEMBL494038 |
| 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 | 99.49% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.56% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.43% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.63% | 85.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.76% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.50% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.42% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.37% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.45% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.47% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.32% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.60% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.17% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.99% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 10384052 |
| LOTUS | LTS0076397 |
| wikiData | Q105026023 |