d-Centrolobine
| Internal ID | 26cfc2c7-4cde-4ce2-aa05-c5cc2eb634d4 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[2-[6-(4-methoxyphenyl)oxan-2-yl]ethyl]phenol |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2CCCC(O2)CCC3=CC=C(C=C3)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2CCCC(O2)CCC3=CC=C(C=C3)O |
| InChI | InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3 |
| InChI Key | VKLGDLFSGNHXAV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.40 |
| 30359-02-5 |
| DTXSID50319750 |
| NSC350083 |
| NSC-350083 |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.83% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.09% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.72% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.33% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.67% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.84% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.22% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.53% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.28% | 94.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.50% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.49% | 99.18% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 83.24% | 91.96% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.12% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.76% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.69% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.32% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.65% | 92.94% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.26% | 95.93% |
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.
| Centrolobium robustum |
| Centrolobium tomentosum |
| PubChem | 336325 |
| LOTUS | LTS0026444 |
| wikiData | Q82076411 |