9,10,18-Trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
| Internal ID | a2465e64-d0f6-46bd-bdd2-8e11649fdad2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 9,10,18-trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
| SMILES (Canonical) | CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)CO |
| SMILES (Isomeric) | CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)CO |
| InChI | InChI=1S/C20H28O6/c1-10-11-4-5-12-18-7-3-6-17(2,8-21)13(18)16(24)20(25,26-9-18)19(12,14(10)22)15(11)23/h11-13,15-16,21,23-25H,1,3-9H2,2H3 |
| InChI Key | HSNHHKCWUXSXSA-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 | 0.00 |
| There are no found synonyms. |
![2D Structure of 9,10,18-Trihydroxy-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/f8d775e0-86ae-11ee-bd2d-d11a7e6d132a.jpg "2D Structure of 9,10,18-Trihydroxy-12-(hydroxymethyl)-12-methyl-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.59% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.12% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.89% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.05% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.99% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.88% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.87% | 95.50% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.68% | 86.92% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.93% | 93.04% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.49% | 97.50% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.87% | 98.46% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.72% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.52% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.19% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.91% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.60% | 92.62% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.18% | 99.29% |
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 parvifolius |
| Isodon phyllostachys |
| Isodon serra |
| PubChem | 74071460 |
| LOTUS | LTS0234931 |
| wikiData | Q105033139 |