[9,9,18-Trimethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-oxo-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-14-en-1-yl] formate
| Internal ID | 35ee4ebc-d6b7-482e-8ab4-6c54842ff7cd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [9,9,18-trimethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-oxo-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-14-en-1-yl] formate |
| SMILES (Canonical) | CC1=CCC(OC1=O)C(C)C2CC=C3C2(CCC4(C3CCC5C(OC6C5(C4)OC(=O)C6)(C)C)OC=O)C |
| SMILES (Isomeric) | CC1=CCC(OC1=O)C(C)C2CC=C3C2(CCC4(C3CCC5C(OC6C5(C4)OC(=O)C6)(C)C)OC=O)C |
| InChI | InChI=1S/C30H40O7/c1-17-6-10-22(35-26(17)33)18(2)19-7-8-20-21-9-11-23-27(3,4)36-24-14-25(32)37-30(23,24)15-29(21,34-16-31)13-12-28(19,20)5/h6,8,16,18-19,21-24H,7,9-15H2,1-5H3 |
| InChI Key | DIHUZAOBXDBVJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O7 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [9,9,18-Trimethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-oxo-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-14-en-1-yl] formate](https://plantaedb.com/storage/docs/compounds/2023/11/9f3aa520-8744-11ee-a88f-37899feaab55.jpg "2D Structure of [9,9,18-Trimethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-oxo-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-14-en-1-yl] formate")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.49% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.62% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.15% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.12% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.73% | 94.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.41% | 93.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.33% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.19% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.69% | 93.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.36% | 96.61% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.35% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.31% | 94.73% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.72% | 99.18% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.64% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.82% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.47% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.36% | 89.00% |
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.
| Kadsura coccinea |
| PubChem | 74376611 |
| LOTUS | LTS0141618 |
| wikiData | Q104981375 |