3,9,10,13-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
| Internal ID | 9d65b3cd-80e0-4f26-a808-c528c08228f1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 3,9,10,13-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
| SMILES (Canonical) | CC1(C(CCC23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3)O)O)O)C |
| SMILES (Isomeric) | CC1(C(CCC23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3)O)O)O)C |
| InChI | InChI=1S/C20H28O6/c1-9-10-6-11(21)13-18-5-4-12(22)17(2,3)14(18)16(24)20(25,26-8-18)19(13,7-10)15(9)23/h10-14,16,21-22,24-25H,1,4-8H2,2-3H3 |
| InChI Key | NGTJHRUNHBCVEM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 3,9,10,13-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/cee8c8a0-83c7-11ee-a216-07ae9cdcb1ac.jpg "2D Structure of 3,9,10,13-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-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 | 92.82% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.47% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.60% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.22% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.32% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.49% | 95.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.13% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.29% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.14% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.68% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.49% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.71% | 90.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.39% | 94.00% |
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.
| Isodon henryi |
| PubChem | 162903229 |
| LOTUS | LTS0134268 |
| wikiData | Q104667904 |