(8-Formyl-11,15-dihydroxy-7,7-dimethyl-14-methylidene-2-oxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl)methyl acetate
Internal ID | b381642a-c399-413e-834d-9a0db4ce22be |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | (8-formyl-11,15-dihydroxy-7,7-dimethyl-14-methylidene-2-oxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl)methyl acetate |
SMILES (Canonical) | CC(=O)OCC12C(CCC(C1C=O)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4O)O |
SMILES (Isomeric) | CC(=O)OCC12C(CCC(C1C=O)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4O)O |
InChI | InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-18,25-26H,1,5-8,10H2,2-4H3 |
InChI Key | SDGHSGBMLDNKAV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H30O7 |
Molecular Weight | 406.50 g/mol |
Exact Mass | 406.19915329 g/mol |
Topological Polar Surface Area (TPSA) | 110.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of (8-Formyl-11,15-dihydroxy-7,7-dimethyl-14-methylidene-2-oxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl)methyl acetate 2D Structure of (8-Formyl-11,15-dihydroxy-7,7-dimethyl-14-methylidene-2-oxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/397d2e80-8599-11ee-b119-698154a04969.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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.59% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.80% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.58% | 97.25% |
CHEMBL1871 | P10275 | Androgen Receptor | 88.18% | 96.43% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.62% | 89.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.27% | 95.50% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.52% | 97.05% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.93% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.66% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.25% | 91.07% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.61% | 95.56% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.60% | 94.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.45% | 97.14% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.31% | 90.17% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 82.26% | 97.78% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.03% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.94% | 99.23% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.52% | 93.04% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.49% | 96.77% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.25% | 97.28% |
CHEMBL5028 | O14672 | ADAM10 | 81.07% | 97.50% |
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 serra |
PubChem | 163041918 |
LOTUS | LTS0160921 |
wikiData | Q105250636 |