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Drug Details

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Name:arenarioside
PubChem ID:44584310
Pathway:Show KEGG pathways
InChI:InChI=1S/C34H44O19/c1-14-24(41)26(43)28(45)34(50-14)53-31-29(46)33(47-9-8-16-3-6-18(36)20(38)11-16)51-22(13-49-32-27(44)25(42)21(39)12-48-32)30(31)52-23(40)7-4-15-2-5-17(35)19(37)10-15/h2-7,10-11,14,21-22,24-39,41-46H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33+,34?/m0/s1
SMILES:O=C(O[C@@H]1[C@@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O[C@H]([C@@H]([C@H]1OC1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)OCCc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O

Properties:
Formula:C34H44O19Atoms:53
Molecular Weight:756.702Rotatable Bonds:13
H-bond Acceptors:19H-bond Donors:11
logP:-2.5526
Targets:
NameUniprot IDSourceReferencesInteraction
Prostaglandin G/H synthase 2PGH2_HUMANBindingDB-shows
Synonyms:
arenarioside
CHEBI:604695
CHEMBL455827