(7,9-Dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate
| Internal ID | b6069d60-6a1c-46cd-bbc2-91c784e09fe2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (7,9-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(CCCC23COC1(C45C3CCC(C4)C(=C)C5O)O)(C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C(CCCC23COC1(C45C3CCC(C4)C(=C)C5O)O)(C)C |
| InChI | InChI=1S/C22H32O5/c1-12-14-6-7-15-20-9-5-8-19(3,4)16(20)18(27-13(2)23)22(25,26-11-20)21(15,10-14)17(12)24/h14-18,24-25H,1,5-11H2,2-4H3 |
| InChI Key | FBTJZZXDFNRZCC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O5 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (7,9-Dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6ab995b0-8603-11ee-abe7-ab68b107b62a.jpg "2D Structure of (7,9-Dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate")
| 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 | 97.31% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.34% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.28% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.72% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.17% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.75% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.64% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.20% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.72% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.00% | 97.09% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.91% | 82.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.53% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.12% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.98% | 92.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.56% | 91.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.09% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.07% | 94.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.04% | 83.82% |
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 eriocalyx |
| Isodon oresbius |
| PubChem | 162883592 |
| LOTUS | LTS0072572 |
| wikiData | Q104992940 |