[5-Methyl-2-(2-methyl-3-oxo-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-15-yl)-6-oxoheptan-3-yl] formate
| Internal ID | 1c7a97b7-7f7a-4a42-9d96-013bc83b8eaf |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | [5-methyl-2-(2-methyl-3-oxo-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-15-yl)-6-oxoheptan-3-yl] formate |
| SMILES (Canonical) | CC(CC(C(C)C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)OC=O)C(=O)C |
| SMILES (Isomeric) | CC(CC(C(C)C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)OC=O)C(=O)C |
| InChI | InChI=1S/C28H34O5/c1-16(18(3)30)12-24(32-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26-28(33-26)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26H,8,10-12,14H2,1-4H3 |
| InChI Key | QOJVHSLLYFXPDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O5 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 73.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [5-Methyl-2-(2-methyl-3-oxo-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-15-yl)-6-oxoheptan-3-yl] formate](https://plantaedb.com/storage/docs/compounds/2023/11/43956ab0-8207-11ee-8e30-439ad381f876.jpg "2D Structure of [5-Methyl-2-(2-methyl-3-oxo-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-15-yl)-6-oxoheptan-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.08% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.48% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.42% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.16% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.46% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.99% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.60% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.49% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.46% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.52% | 90.71% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.77% | 95.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.27% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.13% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.64% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.25% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.02% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.90% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.51% | 99.17% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.74% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.09% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.21% | 97.14% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.18% | 94.00% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 82.07% | 95.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.03% | 83.10% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.00% | 89.05% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.71% | 91.24% |
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.
| Salpichroa origanifolia |
| PubChem | 162989753 |
| LOTUS | LTS0098516 |
| wikiData | Q105224930 |