6-Hydroxy-5,5,14-trimethyl-9-methylidene-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
Internal ID | cb9e8519-47d4-442c-a2ac-c3c0a6647143 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | 6-hydroxy-5,5,14-trimethyl-9-methylidene-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one |
SMILES (Canonical) | CC1(C(CC2C(C1=O)CC34CC(CCC3C2=C)C(C4)(C)OC5C(C(C(C(O5)CO)O)O)O)O)C |
SMILES (Isomeric) | CC1(C(CC2C(C1=O)CC34CC(CCC3C2=C)C(C4)(C)OC5C(C(C(C(O5)CO)O)O)O)O)C |
InChI | InChI=1S/C26H40O8/c1-12-14-7-18(28)24(2,3)22(32)15(14)9-26-8-13(5-6-16(12)26)25(4,11-26)34-23-21(31)20(30)19(29)17(10-27)33-23/h13-21,23,27-31H,1,5-11H2,2-4H3 |
InChI Key | CRWXEJBZSSRNPY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H40O8 |
Molecular Weight | 480.60 g/mol |
Exact Mass | 480.27231823 g/mol |
Topological Polar Surface Area (TPSA) | 137.00 Ų |
XlogP | 0.60 |
There are no found synonyms. |
![2D Structure of 6-Hydroxy-5,5,14-trimethyl-9-methylidene-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one 2D Structure of 6-Hydroxy-5,5,14-trimethyl-9-methylidene-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.03,8]hexadecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/cad4aeb0-85b3-11ee-85c9-5b02cbb319f4.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 |
---|---|---|---|---|
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.61% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.15% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.45% | 91.11% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.81% | 91.24% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.56% | 100.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.04% | 86.92% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.90% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.05% | 96.38% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.27% | 96.21% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.25% | 92.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.11% | 95.56% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.38% | 95.83% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.47% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.34% | 98.95% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.50% | 95.50% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.36% | 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.
Pieris formosa |
PubChem | 162898069 |
LOTUS | LTS0191546 |
wikiData | Q104968986 |