16-(4-Hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-7,7-dimethyl-13-propan-2-yl-15,18-dioxatetracyclo[9.8.0.03,8.014,19]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione
| Internal ID | 64cb3b6b-9aaf-4e0c-987f-531734bb500b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 16-(4-hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-7,7-dimethyl-13-propan-2-yl-15,18-dioxatetracyclo[9.8.0.03,8.014,19]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione |
| SMILES (Canonical) | CC(C)C1=C2C(=C3C=C4C=CC(=O)C(C4=CC(=O)C3=C1)(C)C)OC(C(O2)C5=CC(=C(C=C5)O)OC)CO |
| SMILES (Isomeric) | CC(C)C1=C2C(=C3C=C4C=CC(=O)C(C4=CC(=O)C3=C1)(C)C)OC(C(O2)C5=CC(=C(C=C5)O)OC)CO |
| InChI | InChI=1S/C30H30O7/c1-15(2)18-12-19-20(10-16-7-9-26(34)30(3,4)21(16)13-23(19)33)29-28(18)37-27(25(14-31)36-29)17-6-8-22(32)24(11-17)35-5/h6-13,15,25,27,31-32H,14H2,1-5H3 |
| InChI Key | STCQKVIMCUPRKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30O7 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 16-(4-Hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-7,7-dimethyl-13-propan-2-yl-15,18-dioxatetracyclo[9.8.0.03,8.014,19]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e287b990-820c-11ee-9ff1-7deac4875d80.jpg "2D Structure of 16-(4-Hydroxy-3-methoxyphenyl)-17-(hydroxymethyl)-7,7-dimethyl-13-propan-2-yl-15,18-dioxatetracyclo[9.8.0.03,8.014,19]nonadeca-1(19),2,4,8,11,13-hexaene-6,10-dione")
| 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 | 99.80% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.22% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.09% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.29% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.68% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.23% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.55% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.53% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.69% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.89% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.81% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.53% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.66% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.10% | 91.07% |
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.
| Amentotaxus formosana |
| Taxus cuspidata |
| Taxus wallichiana var. chinensis |
| PubChem | 162892285 |
| LOTUS | LTS0227718 |
| wikiData | Q105260166 |