Methylgraviphane
| Internal ID | 2e500fea-6e90-4e40-ace3-e89c658e7fc5 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 3-methoxytricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,22,25-hexaene-5,24,25-triol |
| SMILES (Canonical) | COC1=CC(=CC2=C1C3=C(C=C(CCCCCCCCCCCCCC2)C=C3O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C3=C(C=C(CCCCCCCCCCCCCC2)C=C3O)O)O |
| InChI | InChI=1S/C27H38O4/c1-31-25-19-22(28)18-21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-23(29)27(26(21)25)24(30)17-20/h16-19,28-30H,2-15H2,1H3 |
| InChI Key | VHTRJVITHPENFV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38O4 |
| Molecular Weight | 426.60 g/mol |
| Exact Mass | 426.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 9.20 |
| 3-methoxytricyclo(20.2.2.02,7)hexacosa-1(24),2(7),3,5,22,25-hexaene-5,24,25-triol |
| 3-methoxytricyclo[20.2.2.02,7]hexacosa-1(24),2(7),3,5,22,25-hexaene-5,24,25-triol |
| RefChem:158226 |
| 26002-04-0 |
| CHEMBL375783 |
| 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 | 97.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.88% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.12% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.03% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.67% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.79% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.68% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.86% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.17% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.09% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.94% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.73% | 93.99% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 84.12% | 97.03% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.76% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.03% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.01% | 94.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.40% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.32% | 82.67% |
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.
| Grevillea robusta |
| PubChem | 44419741 |
| NPASS | NPC82299 |
| ChEMBL | CHEMBL375783 |
| LOTUS | LTS0164906 |
| wikiData | Q104401573 |