Schidigerasaponin C1
Internal ID | ee3b8fd8-3536-4e08-9e1e-bbad69f45475 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
IUPAC Name | 2-[5-hydroxy-6-(hydroxymethyl)-2-(15-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC19CCC(=C)CO9 |
SMILES (Isomeric) | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(CO7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC19CCC(=C)CO9 |
InChI | InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h19-41,45-54H,1,5-17H2,2-4H3 |
InChI Key | SEEFJRURFRVKII-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C44H70O18 |
Molecular Weight | 887.00 g/mol |
Exact Mass | 886.45621538 g/mol |
Topological Polar Surface Area (TPSA) | 276.00 Ų |
XlogP | 0.20 |
There are no found synonyms. |
![2D Structure of Schidigerasaponin C1 2D Structure of Schidigerasaponin C1](https://plantaedb.com/storage/docs/compounds/2023/11/schidigerasaponin-c1.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 | 98.58% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.80% | 100.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.79% | 95.93% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.67% | 97.09% |
CHEMBL237 | P41145 | Kappa opioid receptor | 92.37% | 98.10% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.11% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.43% | 94.45% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.23% | 96.21% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.18% | 95.38% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.75% | 96.61% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.05% | 96.77% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.19% | 97.86% |
CHEMBL233 | P35372 | Mu opioid receptor | 85.10% | 97.93% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.35% | 93.18% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.71% | 92.94% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.49% | 95.58% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.16% | 95.89% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.78% | 92.86% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.38% | 92.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.21% | 86.33% |
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.
Yucca schidigera |
PubChem | 73109513 |
LOTUS | LTS0068502 |
wikiData | Q105251051 |