(6,7-Dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl) 4-hydroxy-3-methoxybenzoate
| Internal ID | 0c683b1a-bc04-4d2e-99a7-7f1aa69b1de8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | (6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl) 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H36O11/c1-16(2)33-26(42-29(38)19-12-13-21(36)22(15-19)41-6)18(4)34-23-14-17(3)25(37)32(23,40)30(39)31(5)27(43-31)24(34)28(33)44-35(45-33,46-34)20-10-8-7-9-11-20/h7-15,18,23-24,26-28,30,36,39-40H,1H2,2-6H3 |
| InChI Key | MJBAQBFDLWJKKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H36O11 |
| Molecular Weight | 632.70 g/mol |
| Exact Mass | 632.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (6,7-Dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl) 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/39e64990-8537-11ee-8c27-3de6f8331e6b.jpg "2D Structure of (6,7-Dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl) 4-hydroxy-3-methoxybenzoate")
| 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 | 99.47% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.85% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.70% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.22% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.16% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.96% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.10% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.28% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.68% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.33% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.59% | 83.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.50% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.12% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.69% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.35% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.78% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.83% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.63% | 91.07% |
| CHEMBL3194 | P02766 | Transthyretin | 84.29% | 90.71% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.23% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.21% | 97.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.16% | 94.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.42% | 95.89% |
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.
| Trigonostemon viridissimus var. elegantissimus |
| PubChem | 75233657 |
| LOTUS | LTS0095892 |
| wikiData | Q105165325 |