[(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (1S,4aS,7aS)-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Internal ID | 775602f1-7ca3-497e-93c6-5b9a4e1ab19a |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | [(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (1S,4aS,7aS)-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate |
SMILES (Canonical) | C=C1CCC2C1C(OC=C2C(=O)OC3C4C=COC(C4C5(C3O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
SMILES (Isomeric) | C=C1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O[C@H]3[C@H]4C=CO[C@H]([C@@H]4[C@@]5([C@H]3O5)CO)O[C@H]6[C@H]([C@H]([C@@H]([C@@H](O6)CO)O)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O |
InChI | InChI=1S/C31H42O18/c1-10-2-3-11-13(8-43-27(16(10)11)47-29-22(39)20(37)18(35)14(6-32)44-29)26(41)46-24-12-4-5-42-28(17(12)31(9-34)25(24)49-31)48-30-23(40)21(38)19(36)15(7-33)45-30/h4-5,8,11-12,14-25,27-30,32-40H,1-3,6-7,9H2/t11-,12+,14-,15+,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,27+,28+,29+,30+,31-/m1/s1 |
InChI Key | DHZDTIROSIGKIG-RZHVVGFJSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H42O18 |
Molecular Weight | 702.70 g/mol |
Exact Mass | 702.23711449 g/mol |
Topological Polar Surface Area (TPSA) | 276.00 Ų |
XlogP | -3.60 |
There are no found synonyms. |
![2D Structure of [(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (1S,4aS,7aS)-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 2D Structure of [(1S,2S,4S,5S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (1S,4aS,7aS)-7-methylidene-1-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/775d5de0-82b4-11ee-9264-13281d993a1c.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 | 98.90% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.69% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.32% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.37% | 96.61% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.89% | 94.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.81% | 95.89% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.39% | 92.50% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.47% | 96.21% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.91% | 100.00% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.90% | 94.97% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.58% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.97% | 89.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.82% | 83.57% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.58% | 92.94% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.35% | 91.24% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.28% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.05% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.84% | 97.25% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.44% | 91.19% |
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.
Argylia radiata |
PubChem | 163103835 |
LOTUS | LTS0253800 |
wikiData | Q104981043 |