methyl 6-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoate
| Internal ID | 09d059a1-2872-484d-9a72-159f80c23ac3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 6-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoate |
| SMILES (Canonical) | CC(CCC=C(C)C(=O)OC)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C |
| SMILES (Isomeric) | CC(CCC=C(C)C(=O)OC)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C |
| InChI | InChI=1S/C33H52O4/c1-21(11-10-12-22(2)29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-23(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h12,21,24,27-28H,10-11,13-20H2,1-9H3 |
| InChI Key | QZONOXXAUHENHK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H52O4 |
| Molecular Weight | 512.80 g/mol |
| Exact Mass | 512.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of methyl 6-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/95648c70-876b-11ee-8b66-cb80aa017aa9.jpg "2D Structure of methyl 6-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.26% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.35% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.85% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.43% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.09% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.06% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.52% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.36% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.60% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.02% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.90% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.61% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.07% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 81.93% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.74% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.71% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.55% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.22% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.08% | 97.14% |
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.
| Pistacia vera |
| PubChem | 162969595 |
| LOTUS | LTS0083221 |
| wikiData | Q105232223 |