Chloromaloside B
Internal ID | 33e6a058-2abd-46a4-b982-e4803bee2174 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides > Steroidal saponins |
IUPAC Name | 16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one |
SMILES (Canonical) | CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC |
SMILES (Isomeric) | CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC |
InChI | InChI=1S/C57H94O29/c1-21(19-76-50-44(72)40(68)37(65)30(15-58)79-50)8-11-57(75-5)22(2)35-29(86-57)13-27-25-7-6-23-12-24(9-10-55(23,3)26(25)14-34(63)56(27,35)4)78-52-46(74)42(70)47(33(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-59)80-53)48(39(67)32(17-60)81-54)84-51-43(71)36(64)28(62)20-77-51/h21-33,35-54,58-62,64-74H,6-20H2,1-5H3 |
InChI Key | UEVGVDDRWSGCOD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C57H94O29 |
Molecular Weight | 1243.30 g/mol |
Exact Mass | 1242.58807696 g/mol |
Topological Polar Surface Area (TPSA) | 452.00 Ų |
XlogP | -4.10 |
132998-90-4 |
Furostan-12-one, 26-(beta-D-glucopyranosyloxy)-3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-22-methoxy-, (3beta,5alpha,25S)- |
![2D Structure of Chloromaloside B 2D Structure of Chloromaloside B](https://plantaedb.com/storage/docs/compounds/2023/11/chloromaloside-b.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 | 98.67% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.72% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.08% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.31% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.77% | 94.75% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.70% | 92.98% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.59% | 97.29% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.20% | 100.00% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.87% | 93.18% |
CHEMBL220 | P22303 | Acetylcholinesterase | 88.86% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 87.85% | 98.95% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.21% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.71% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.19% | 96.00% |
CHEMBL237 | P41145 | Kappa opioid receptor | 85.16% | 98.10% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.35% | 96.21% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 84.29% | 95.93% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.23% | 92.94% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.13% | 91.24% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.57% | 97.25% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.42% | 92.50% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.34% | 96.61% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.55% | 97.79% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.48% | 95.56% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.42% | 92.88% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.04% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.87% | 100.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.50% | 94.00% |
CHEMBL204 | P00734 | Thrombin | 80.11% | 96.01% |
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.
Chlorophytum malayense |
PubChem | 151155 |
LOTUS | LTS0106802 |
wikiData | Q105271158 |