methyl 3-acetyloxy-10-formyl-15-methoxy-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
| Internal ID | 3e4a8202-7a81-4320-af5f-2fccadd8edc1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | methyl 3-acetyloxy-10-formyl-15-methoxy-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40O7/c1-16-14-20-26(6,29(24(33)35-9)23(34-8)17(2)22(32)27(16,29)7)12-10-19-25(4,5)21(36-18(3)31)11-13-28(19,20)15-30/h14-15,19-21H,10-13H2,1-9H3 |
| InChI Key | ADOYBIJMQNENDD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O7 |
| Molecular Weight | 500.60 g/mol |
| Exact Mass | 500.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 96.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of methyl 3-acetyloxy-10-formyl-15-methoxy-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/f8e27470-8415-11ee-acd7-a9747a444b09.jpg "2D Structure of methyl 3-acetyloxy-10-formyl-15-methoxy-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate")
| 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 | 97.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.58% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.97% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.05% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.27% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.45% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.38% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 85.26% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.43% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.36% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.23% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.60% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.38% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.01% | 96.43% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.35% | 95.71% |
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.
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| There are no matching plants. |
| PubChem | 85434673 |
| LOTUS | LTS0193293 |
| wikiData | Q105094738 |