(15-Acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate
Internal ID | 0f912968-08de-4bc4-9c2f-166b29cf1658 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | (15-acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate |
SMILES (Canonical) | CC(=O)OCC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)OC(=O)C)C |
SMILES (Isomeric) | CC(=O)OCC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)OC(=O)C)C |
InChI | InChI=1S/C24H32O9/c1-11-14-5-6-15-22-10-32-24(30,23(15,18(11)27)19(14)28)20(29)17(22)21(4,9-31-12(2)25)8-7-16(22)33-13(3)26/h14-17,19-20,28-30H,1,5-10H2,2-4H3 |
InChI Key | GHFPBIGVWURSNB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H32O9 |
Molecular Weight | 464.50 g/mol |
Exact Mass | 464.20463259 g/mol |
Topological Polar Surface Area (TPSA) | 140.00 Ų |
XlogP | 0.00 |
There are no found synonyms. |
![2D Structure of (15-Acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate 2D Structure of (15-Acetyloxy-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f4872620-83c4-11ee-bf54-0f78b100d6e7.jpg)
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 | 97.41% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.82% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.06% | 96.77% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.75% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.73% | 98.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.51% | 91.19% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.52% | 97.28% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.44% | 90.17% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.55% | 92.94% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.41% | 93.04% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.04% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.20% | 92.62% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.19% | 82.69% |
CHEMBL5028 | O14672 | ADAM10 | 81.34% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.27% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.19% | 89.00% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.00% | 97.79% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.35% | 92.50% |
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 japonicus |
PubChem | 74349072 |
LOTUS | LTS0219247 |
wikiData | Q105008493 |