Cyclogalegigenin
Internal ID | aff3302f-69db-43df-9f28-815d6f994d6e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | 15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol |
SMILES (Canonical) | CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C |
SMILES (Isomeric) | CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C |
InChI | InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3 |
InChI Key | WENNXORDXYGDTP-UHFFFAOYSA-N |
Popularity | 62 references in papers |
Molecular Formula | C30H50O5 |
Molecular Weight | 490.70 g/mol |
Exact Mass | 490.36582469 g/mol |
Topological Polar Surface Area (TPSA) | 90.20 Ų |
XlogP | 4.40 |
Astramembrangenin |
Cyclogalegigenin |
84605-18-5 |
15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol |
SCHEMBL22853929 |
FT-0688315 |
(3|A,6|A,16|A,20R,24S)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol |
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecane-6,9,14-triol |
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecane-6,9,14-triol |
![2D Structure of Cyclogalegigenin 2D Structure of Cyclogalegigenin](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogalegigenin-98cfc229bd8c50aa8ab0456ca548d229.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.73% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
CHEMBL204 | P00734 | Thrombin | 93.87% | 96.01% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.23% | 97.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.20% | 96.61% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.48% | 96.95% |
CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 89.81% | 95.69% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.74% | 95.58% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.73% | 94.45% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.49% | 95.00% |
CHEMBL1871 | P10275 | Androgen Receptor | 88.24% | 96.43% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.87% | 96.77% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.42% | 97.31% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.11% | 82.69% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.47% | 95.38% |
CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 86.25% | 95.42% |
CHEMBL240 | Q12809 | HERG | 85.66% | 89.76% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.24% | 100.00% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.75% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.73% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.39% | 89.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.96% | 83.57% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.37% | 85.30% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.32% | 97.79% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.17% | 92.94% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.04% | 95.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.73% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 3664530 |
LOTUS | LTS0211807 |
wikiData | Q104888998 |