Methyl isoverrucosidinol
| Internal ID | bd019d21-5fa3-4a6b-b4cf-9669255c2c2a |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | 6-[(2S,3S,4E,6E)-2-hydroxy-3-methoxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one |
| SMILES (Canonical) | CC1C2(C(O2)C(O1)(C)C=C(C)C=C(C)C(C(C)(C3=C(C(=C(C(=O)O3)C)OC)C)O)OC)C |
| SMILES (Isomeric) | C[C@@H]1[C@@]2([C@@H](O2)[C@](O1)(C)/C=C(\C)/C=C(\C)/[C@@H]([C@@](C)(C3=C(C(=C(C(=O)O3)C)OC)C)O)OC)C |
| InChI | InChI=1S/C25H36O7/c1-13(12-23(6)22-25(8,32-22)17(5)31-23)11-14(2)19(29-10)24(7,27)20-15(3)18(28-9)16(4)21(26)30-20/h11-12,17,19,22,27H,1-10H3/b13-12+,14-11+/t17-,19+,22+,23+,24+,25-/m1/s1 |
| InChI Key | XACWUZWKNYHMQT-NPPKBJIRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H36O7 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 86.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
| 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 | 97.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.15% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.96% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.86% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.60% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.95% | 97.14% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 88.29% | 92.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.98% | 92.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.85% | 93.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.30% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.25% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.23% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.66% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.32% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.47% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.32% | 92.68% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.18% | 91.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.84% | 93.65% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.26% | 96.43% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 81.10% | 95.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.03% | 96.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.50% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.29% | 97.28% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.05% | 94.73% |
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 | 139590390 |
| LOTUS | LTS0074352 |
| wikiData | Q105323828 |