3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-(3-oxobutyl)-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
| Internal ID | d00eda65-99ff-4b00-9bd9-cd63cd27902c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 3,9,10,18-tetrahydroxy-12,12-dimethyl-6-(3-oxobutyl)-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
| SMILES (Canonical) | CC(=O)CCC1C2CC(C3C45CCCC(C4C(C(C3(C2O)C1=O)(OC5)O)O)(C)C)O |
| SMILES (Isomeric) | CC(=O)CCC1C2CC(C3C45CCCC(C4C(C(C3(C2O)C1=O)(OC5)O)O)(C)C)O |
| InChI | InChI=1S/C23H34O7/c1-11(24)5-6-12-13-9-14(25)15-21-8-4-7-20(2,3)16(21)19(28)23(29,30-10-21)22(15,17(12)26)18(13)27/h12-16,18-19,25,27-29H,4-10H2,1-3H3 |
| InChI Key | JIJFHTDFMJZANE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O7 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-(3-oxobutyl)-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/528ca250-861b-11ee-abc7-21574005a106.jpg "2D Structure of 3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-(3-oxobutyl)-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 | 99.06% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.41% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.98% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.91% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.04% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.70% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.81% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.84% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.77% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.50% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.48% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.79% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.76% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.36% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.67% | 89.34% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.43% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.05% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.51% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.56% | 97.28% |
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 |
| PubChem | 162999833 |
| LOTUS | LTS0190152 |
| wikiData | Q105129123 |