[6-Methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl] 2-methylbutanoate
Internal ID | 5f97e85a-73a6-4ce1-895e-20de75496708 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl] 2-methylbutanoate |
SMILES (Canonical) | CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(C(OC3O1)C)O)O)C)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(C(C(O6)C)O)O)O)OC(=O)C(C)CC)O |
SMILES (Isomeric) | CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(C(OC3O1)C)O)O)C)OC4C(C(C(C(O4)C)OC5C(C(C(C(O5)C)O)O)O)OC6C(C(C(C(O6)C)O)O)O)OC(=O)C(C)CC)O |
InChI | InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3 |
InChI Key | JFUPYRTZBHJNLX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C51H88O23 |
Molecular Weight | 1069.20 g/mol |
Exact Mass | 1068.57163905 g/mol |
Topological Polar Surface Area (TPSA) | 327.00 Ų |
XlogP | 2.50 |
There are no found synonyms. |
![2D Structure of [6-Methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl] 2-methylbutanoate 2D Structure of [6-Methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/65207c40-8286-11ee-ad10-1d03605c988e.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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 99.15% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.34% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.32% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.85% | 90.24% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.46% | 93.56% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.96% | 92.50% |
CHEMBL4072 | P07858 | Cathepsin B | 90.68% | 93.67% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.96% | 96.61% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.66% | 92.62% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.36% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.18% | 89.00% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.99% | 96.47% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.26% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.31% | 83.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.95% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.65% | 91.19% |
CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 84.56% | 98.57% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.99% | 95.56% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.80% | 97.36% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.95% | 94.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.50% | 86.33% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.22% | 96.38% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.56% | 94.73% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.36% | 95.89% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.00% | 95.50% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.45% | 96.77% |
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.
Ipomoea murucoides |
PubChem | 72987969 |
LOTUS | LTS0020113 |
wikiData | Q105127036 |