(2S,3R,4S,5R,6S)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | d067af6b-ed87-4302-b66a-df47746df2b7 |
Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
IUPAC Name | (2S,3R,4S,5R,6S)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC |
SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@@H](O5)CO)O)O)O)OC)OC |
InChI | InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21-,22-,23-,24+,25-,26+,27+/m0/s1 |
InChI Key | KFFCKOBAHMGTMW-XORGOZSGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H34O11 |
Molecular Weight | 534.60 g/mol |
Exact Mass | 534.21011190 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | 0.00 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.93% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.37% | 97.09% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.33% | 92.94% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.00% | 85.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.98% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 89.59% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.44% | 96.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.95% | 89.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.25% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.67% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.59% | 90.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.80% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.93% | 97.14% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.51% | 86.92% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.15% | 96.21% |
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.
Osmanthus heterophyllus |
PubChem | 162976050 |
LOTUS | LTS0039953 |
wikiData | Q105140350 |