7-Hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
Internal ID | f24ee064-8285-4d00-a997-de94a3befff9 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | 7-hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one |
SMILES (Canonical) | CC12C(CCC1C3C(C(C2O)OC3=O)C(C)(C)O)COC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | CC12C(CCC1C3C(C(C2O)OC3=O)C(C)(C)O)COC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C21H34O10/c1-20(2,28)12-11-9-5-4-8(21(9,3)17(26)16(12)31-18(11)27)7-29-19-15(25)14(24)13(23)10(6-22)30-19/h8-17,19,22-26,28H,4-7H2,1-3H3 |
InChI Key | QYQKFNGMKVSCEB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H34O10 |
Molecular Weight | 446.50 g/mol |
Exact Mass | 446.21519728 g/mol |
Topological Polar Surface Area (TPSA) | 166.00 Ų |
XlogP | -1.20 |
There are no found synonyms. |
![2D Structure of 7-Hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one 2D Structure of 7-Hydroxy-11-(2-hydroxypropan-2-yl)-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/eca5aef0-8605-11ee-b197-f16dd4018440.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.47% | 97.25% |
CHEMBL220 | P22303 | Acetylcholinesterase | 94.77% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.47% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.04% | 85.14% |
CHEMBL1871 | P10275 | Androgen Receptor | 89.55% | 96.43% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.33% | 96.61% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.08% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.63% | 94.73% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.37% | 93.04% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.36% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.03% | 95.89% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.43% | 83.82% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.27% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.19% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.12% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.81% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.64% | 100.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.48% | 92.50% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.65% | 97.36% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.52% | 96.21% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.14% | 97.14% |
CHEMBL2581 | P07339 | Cathepsin D | 81.72% | 98.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.79% | 95.89% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.66% | 100.00% |
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.
Dendrobium moniliforme |
PubChem | 85367589 |
LOTUS | LTS0164601 |
wikiData | Q105230333 |