(1S,7S,9R,10R,11S,13S)-7,9-dihydroxy-1,5,9,12,12-pentamethyltetracyclo[8.5.0.03,7.011,13]pentadeca-2,5-diene-4,8-dione
| Internal ID | ade37a1e-4025-4c20-8a59-d822c692031f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (1S,7S,9R,10R,11S,13S)-7,9-dihydroxy-1,5,9,12,12-pentamethyltetracyclo[8.5.0.03,7.011,13]pentadeca-2,5-diene-4,8-dione |
| SMILES (Canonical) | CC1=CC2(C(=CC3(CCC4C(C3C(C2=O)(C)O)C4(C)C)C)C1=O)O |
| SMILES (Isomeric) | CC1=C[C@@]2(C(=C[C@@]3(CC[C@H]4[C@@H]([C@H]3[C@@](C2=O)(C)O)C4(C)C)C)C1=O)O |
| InChI | InChI=1S/C20H26O4/c1-10-8-20(24)12(14(10)21)9-18(4)7-6-11-13(17(11,2)3)15(18)19(5,23)16(20)22/h8-9,11,13,15,23-24H,6-7H2,1-5H3/t11-,13-,15+,18-,19+,20-/m0/s1 |
| InChI Key | UZEAKOOBNZOXDE-OOGOFMSLSA-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) | 74.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1S,7S,9R,10R,11S,13S)-7,9-dihydroxy-1,5,9,12,12-pentamethyltetracyclo[8.5.0.03,7.011,13]pentadeca-2,5-diene-4,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d7e845a0-8590-11ee-9f03-2311d72bdacd.jpg "2D Structure of (1S,7S,9R,10R,11S,13S)-7,9-dihydroxy-1,5,9,12,12-pentamethyltetracyclo[8.5.0.03,7.011,13]pentadeca-2,5-diene-4,8-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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.06% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.67% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.61% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.31% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.42% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.93% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.82% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.69% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.38% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.05% | 96.43% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.43% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.94% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.64% | 96.21% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.30% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.01% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.15% | 96.67% |
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.
| Jatropha curcas |
| PubChem | 162869202 |
| LOTUS | LTS0212112 |
| wikiData | Q105282134 |