17-Hydroxy-8,10,14-trimethyl-7-(2-methylprop-1-enyl)-15-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-6-one
Internal ID | b3d14d29-7620-4069-a7f4-55b15f8e763e |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
IUPAC Name | 17-hydroxy-8,10,14-trimethyl-7-(2-methylprop-1-enyl)-15-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-6-one |
SMILES (Canonical) | CC1C(C(=O)OC2C1C3(CCC4C(C3C2)CC=C5C4(C(CC(C5)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C=C(C)C |
SMILES (Isomeric) | CC1C(C(=O)OC2C1C3(CCC4C(C3C2)CC=C5C4(C(CC(C5)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C=C(C)C |
InChI | InChI=1S/C39H60O14/c1-16(2)10-21-17(3)28-24(50-35(21)48)13-23-20-7-6-18-11-19(41)12-27(39(18,5)22(20)8-9-38(23,28)4)53-37-34(47)32(45)30(43)26(52-37)15-49-36-33(46)31(44)29(42)25(14-40)51-36/h6,10,17,19-34,36-37,40-47H,7-9,11-15H2,1-5H3 |
InChI Key | MCJKWFRMUSTUPL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H60O14 |
Molecular Weight | 752.90 g/mol |
Exact Mass | 752.39830658 g/mol |
Topological Polar Surface Area (TPSA) | 225.00 Ų |
XlogP | 1.50 |
There are no found synonyms. |
![2D Structure of 17-Hydroxy-8,10,14-trimethyl-7-(2-methylprop-1-enyl)-15-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-6-one 2D Structure of 17-Hydroxy-8,10,14-trimethyl-7-(2-methylprop-1-enyl)-15-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/db7000c0-8675-11ee-b45e-655729024fb0.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.86% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.44% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.98% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.82% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.77% | 89.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.04% | 85.14% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.43% | 92.50% |
CHEMBL1871 | P10275 | Androgen Receptor | 89.16% | 96.43% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 88.54% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.17% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.17% | 95.89% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.58% | 93.04% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.45% | 96.61% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.91% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.13% | 94.75% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.61% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.24% | 99.17% |
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.
Ornithogalum saundersiae |
PubChem | 85415678 |
LOTUS | LTS0197735 |
wikiData | Q105161239 |