(3Z,5S)-4-(4-hydroxyphenyl)-9-methoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
Internal ID | c716f2da-18fd-4ee0-ab8d-f1a7e4d52543 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | (3Z,5S)-4-(4-hydroxyphenyl)-9-methoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one |
SMILES (Canonical) | COC1=CC2=C(CC(C(=CC(=O)O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)C=C1 |
SMILES (Isomeric) | COC1=CC2=C(C[C@@H](/C(=C\C(=O)O2)/C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C1 |
InChI | InChI=1S/C24H26O10/c1-31-15-7-4-13-8-18(33-24-23(30)22(29)21(28)19(11-25)34-24)16(10-20(27)32-17(13)9-15)12-2-5-14(26)6-3-12/h2-7,9-10,18-19,21-26,28-30H,8,11H2,1H3/b16-10-/t18-,19+,21+,22-,23+,24+/m0/s1 |
InChI Key | UAZRROBGAZKAFE-YPVXCIILSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H26O10 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 0.60 |
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 | 99.62% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.63% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.50% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.71% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.14% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.89% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.26% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.50% | 99.15% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.38% | 90.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.91% | 91.71% |
CHEMBL220 | P22303 | Acetylcholinesterase | 85.64% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.87% | 94.73% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.66% | 92.62% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.48% | 97.36% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 80.71% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.51% | 89.00% |
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.
Styphnolobium japonicum |
PubChem | 163188622 |
LOTUS | LTS0259288 |
wikiData | Q105269153 |