Methyl 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Internal ID | c75858c4-0d60-4c84-abb9-471085cf0837 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
IUPAC Name | methyl 2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
SMILES (Canonical) | CC12CCCC(C1C(C(C34C2CCC(C3)C(C4)(CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)(C)C(=O)OC |
SMILES (Isomeric) | CC12CCCC(C1C(C(C34C2CCC(C3)C(C4)(CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)(C)C(=O)OC |
InChI | InChI=1S/C27H44O11/c1-24-7-4-8-25(2,23(35)36-3)20(24)19(33)21(34)26-9-13(5-6-15(24)26)27(11-26,12-29)38-22-18(32)17(31)16(30)14(10-28)37-22/h13-22,28-34H,4-12H2,1-3H3 |
InChI Key | JVEVLHMSSSKCCH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H44O11 |
Molecular Weight | 544.60 g/mol |
Exact Mass | 544.28836222 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
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 | 98.52% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 91.72% | 95.83% |
CHEMBL4072 | P07858 | Cathepsin B | 91.55% | 93.67% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.86% | 92.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.49% | 97.09% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.73% | 95.50% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.02% | 96.38% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.58% | 92.62% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.56% | 96.77% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.45% | 94.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.84% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.01% | 94.00% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.84% | 91.24% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.75% | 100.00% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.49% | 96.21% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.27% | 96.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.61% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.14% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.97% | 99.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.62% | 91.19% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.05% | 97.50% |
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 nil |
PubChem | 56664465 |
LOTUS | LTS0090977 |
wikiData | Q105135651 |