(1S,3S,9R,10R,13S)-3,7-dihydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one
| Internal ID | c3952245-df27-4f71-a3a3-ff48feabc668 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (1S,3S,9R,10R,13S)-3,7-dihydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one |
| SMILES (Canonical) | CC1=C2C(CC34CC(CCC3C2(C=C(C1=O)O)C)(C=C4)C)O |
| SMILES (Isomeric) | CC1=C2[C@H](C[C@]34C[C@](CC[C@H]3[C@@]2(C=C(C1=O)O)C)(C=C4)C)O |
| InChI | InChI=1S/C19H24O3/c1-11-15-12(20)9-19-7-6-17(2,10-19)5-4-14(19)18(15,3)8-13(21)16(11)22/h6-8,12,14,20-21H,4-5,9-10H2,1-3H3/t12-,14-,17+,18-,19+/m0/s1 |
| InChI Key | IGKWUYLCIMTVNA-UKPUIBMWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O3 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1S,3S,9R,10R,13S)-3,7-dihydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/adb599c0-83f8-11ee-a07d-7b0d7b96cedc.jpg "2D Structure of (1S,3S,9R,10R,13S)-3,7-dihydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.91% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.58% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.06% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.60% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.46% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.39% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.02% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.86% | 93.03% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.38% | 91.38% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.40% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.36% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.63% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.82% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.64% | 96.43% |
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.
| Excoecaria parvifolia |
| Spirostachys africana |
| PubChem | 101712438 |
| LOTUS | LTS0186409 |
| wikiData | Q105112698 |