6,10-Dimethyl-3-prop-1-en-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4.5]dec-9-en-8-one
Internal ID | 5fdaf41a-2c67-4152-b2f9-ecd170b1feeb |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
IUPAC Name | 6,10-dimethyl-3-prop-1-en-2-yl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4.5]dec-9-en-8-one |
SMILES (Canonical) | CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)OC3C(C(C(C(O3)CO)O)O)O |
SMILES (Isomeric) | CC1C(C(=O)C=C(C12CCC(C2)C(=C)C)C)OC3C(C(C(C(O3)CO)O)O)O |
InChI | InChI=1S/C21H32O7/c1-10(2)13-5-6-21(8-13)11(3)7-14(23)19(12(21)4)28-20-18(26)17(25)16(24)15(9-22)27-20/h7,12-13,15-20,22,24-26H,1,5-6,8-9H2,2-4H3 |
InChI Key | VKWPHWWPBMZQKB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H32O7 |
Molecular Weight | 396.50 g/mol |
Exact Mass | 396.21480336 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 1.80 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.72% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.36% | 96.61% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.41% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.23% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.22% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.75% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.56% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.17% | 86.33% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.75% | 97.33% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.03% | 93.04% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.16% | 94.80% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 94.00% |
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.
Nicotiana tabacum |
PubChem | 162915972 |
LOTUS | LTS0160127 |
wikiData | Q105288164 |