Maytenfolone A
| Internal ID | 7e01d8b9-f21f-46e4-9856-d616614aaa79 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,2R,4R,5S,8S,9R,13S,14S,17S,18S,20S)-2-hydroxy-4,8,9,14,17,20-hexamethyl-22-oxahexacyclo[18.3.2.01,18.04,17.05,14.08,13]pentacosane-10,21-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O4/c1-18-19(31)7-8-20-26(18,3)10-9-21-27(20,4)12-13-28(5)22-15-25(2)11-14-30(22,17-34-24(25)33)23(32)16-29(21,28)6/h18,20-23,32H,7-17H2,1-6H3/t18-,20+,21-,22-,23+,25-,26+,27-,28-,29+,30+/m0/s1 |
| InChI Key | BVZOXPCXYRGXKC-RUXXHOCVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.20 |
| CHEBI:66686 |
| (1S,2R,4R,5S,8S,9R,13S,14S,17S,18S,20S)-2-hydroxy-4,8,9,14,17,20-hexamethyl-22-oxahexacyclo[18.3.2.01,18.04,17.05,14.08,13]pentacosane-10,21-dione |
| (2S,5aS,6R,7aR,7bS,9aS,10R,13aS,13bS,15aS,15bS)-6-hydroxy-2,7a,9a,10,13b,15a-hexamethyloctadecahydro-2,5a-ethanochryseno[2,1-c]oxepine-3,11(5H)-dione |
| (1S,2R,4R,5S,8S,9R,13S,14S,17S,18S,20S)-2-hydroxy-4,8,9,14,17,20-hexamethyl-22-oxahexacyclo(18.3.2.01,18.04,17.05,14.08,13)pentacosane-10,21-dione |
| (2S,5aS,6R,7aR,7bS,9aS,10R,13aS,13bS,15aS,15bS)-6-hydroxy-2,7a,9a,10,13b,15a-hexamethyloctadecahydro-2,5a-ethanochryseno(2,1-c)oxepine-3,11(5H)-dione |
| RefChem:156018 |
| 189171-14-0 |
| SCHEMBL30688058 |
| Q27135307 |
| 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 |
|---|---|---|---|---|
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.89% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.61% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.95% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.29% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.01% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.98% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.24% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.69% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.63% | 96.43% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.25% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.04% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.26% | 92.94% |
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.
| Celastrus hindsii |
| PubChem | 11798592 |
| LOTUS | LTS0131926 |
| wikiData | Q27135307 |