5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-2-methylidenefuran-3-one
| Internal ID | d428e736-74a4-45f6-85b7-aa3aa9875d85 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-2-methylidenefuran-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H50O8/c1-19-9-7-10-24(29(19)21(3)31(36)30-32(37)23(5)40-34(30)38)17-25(18-35)33-20(2)13-14-27(42-33)12-8-11-26-15-16-28(41-26)22(4)39-6/h8,12,17,19-22,24,26-29,33,35,38H,5,7,9-11,13-16,18H2,1-4,6H3/b12-8+,25-17+/t19-,20-,21+,22+,24-,26+,27-,28-,29?,33?/m0/s1 |
| InChI Key | NOYCRGFTWNQOMO-IEVSQXKRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O8 |
| Molecular Weight | 586.80 g/mol |
| Exact Mass | 586.35056855 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-2-methylidenefuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/b75364d0-85d2-11ee-93bc-8dac85b642ea.jpg "2D Structure of 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-2-methylidenefuran-3-one")
| 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 | 97.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.65% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.78% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.55% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.03% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.42% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.22% | 92.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.29% | 95.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.48% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.32% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.17% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.13% | 99.23% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.99% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.70% | 94.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.74% | 97.47% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.71% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.30% | 97.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.05% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.67% | 96.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.35% | 92.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.60% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.59% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.31% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 6444075 |
| LOTUS | LTS0209433 |
| wikiData | Q105182879 |