3,4-Dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
| Internal ID | 925a5aa6-decb-41f0-ad72-32dbad815ee9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)CC3C4C2(CCCC4(C)C)C(=O)O3)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)CC3C4C2(CCCC4(C)C)C(=O)O3)O)O |
| InChI | InChI=1S/C20H26O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8,10,13,17,21-22H,5-7,9H2,1-4H3 |
| InChI Key | VYFFPVYOQFBGNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3,4-Dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/0082dfa0-84fb-11ee-92f2-698d4d5a4f21.jpg "2D Structure of 3,4-Dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one")
| 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 | 97.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.87% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.47% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.32% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.56% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.31% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.99% | 94.73% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.93% | 93.04% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.17% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.03% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.01% | 83.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.91% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.59% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.54% | 96.77% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.22% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.88% | 85.14% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.86% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.50% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.67% | 93.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.75% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.95% | 93.40% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.10% | 96.21% |
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.
| Podocarpus rumphii |
| PubChem | 85069382 |
| LOTUS | LTS0134827 |
| wikiData | Q105298943 |