8-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,9-dihydroxy-5'-(3-hydroxybutan-2-yl)-4a,4b,7,7,10a-pentamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene-2,3'-oxolane]-2'-one
| Internal ID | e67f7802-c441-4dfa-b71e-59e4590d348c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 8-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,9-dihydroxy-5'-(3-hydroxybutan-2-yl)-4a,4b,7,7,10a-pentamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene-2,3'-oxolane]-2'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H66O14/c1-18(19(2)42)24-16-41(36(50)53-24)14-13-39(7)21(32(41)49)9-10-26-38(6)15-22(43)33(37(4,5)25(38)11-12-40(26,39)8)55-35-31(28(46)23(44)17-51-35)54-34-30(48)29(47)27(45)20(3)52-34/h9,18-20,22-35,42-49H,10-17H2,1-8H3 |
| InChI Key | LIKRVSRGVHKMEC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H66O14 |
| Molecular Weight | 783.00 g/mol |
| Exact Mass | 782.44525677 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 8-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,9-dihydroxy-5'-(3-hydroxybutan-2-yl)-4a,4b,7,7,10a-pentamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene-2,3'-oxolane]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/78e867a0-8630-11ee-8cc5-6728b6719ba2.jpg "2D Structure of 8-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,9-dihydroxy-5'-(3-hydroxybutan-2-yl)-4a,4b,7,7,10a-pentamethylspiro[3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene-2,3'-oxolane]-2'-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 97.61% | 97.36% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.42% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.43% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.03% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.93% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 87.68% | 92.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.56% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.88% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.84% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.83% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.56% | 91.49% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.03% | 92.98% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.00% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.90% | 91.07% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.23% | 85.31% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.89% | 94.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.47% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.74% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.29% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.28% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.19% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.96% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.57% | 90.00% |
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.
| Sesamum alatum |
| PubChem | 163016898 |
| LOTUS | LTS0193929 |
| wikiData | Q105152239 |