[(1R,2R,4R,8R,9R,10S,13S,16R)-2,16-diacetyloxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Internal ID | 5928f676-ed2d-4794-af31-76d726a3f759 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
IUPAC Name | [(1R,2R,4R,8R,9R,10S,13S,16R)-2,16-diacetyloxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate |
SMILES (Canonical) | CC(=O)OC1CCC(C2C1(C3CCC4C(C3(C(C2)OC(=O)C)C(=O)C4=C)OC(=O)C)C)(C)C |
SMILES (Isomeric) | CC(=O)O[C@@H]1CCC([C@@H]2[C@@]1([C@@H]3CC[C@@H]4[C@H]([C@@]3([C@@H](C2)OC(=O)C)C(=O)C4=C)OC(=O)C)C)(C)C |
InChI | InChI=1S/C26H36O7/c1-13-17-8-9-18-25(7)19(24(5,6)11-10-20(25)31-14(2)27)12-21(32-15(3)28)26(18,22(13)30)23(17)33-16(4)29/h17-21,23H,1,8-12H2,2-7H3/t17-,18-,19+,20+,21+,23+,25-,26-/m0/s1 |
InChI Key | AXJMDVBISSHYGL-WFYXJCEMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H36O7 |
Molecular Weight | 460.60 g/mol |
Exact Mass | 460.24610348 g/mol |
Topological Polar Surface Area (TPSA) | 96.00 Ų |
XlogP | 3.80 |
There are no found synonyms. |
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 | 94.91% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.62% | 85.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.33% | 97.25% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.17% | 91.19% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.30% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.93% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 89.54% | 98.95% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.11% | 95.50% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.24% | 96.77% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.94% | 83.82% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.55% | 93.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.03% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.30% | 92.94% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.08% | 90.17% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.77% | 97.14% |
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.
Croton kongensis |
PubChem | 10961548 |
LOTUS | LTS0001248 |
wikiData | Q104920601 |