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CHEBI:132816 - 6'-O-galloylalbiflorin

ChEBI IDCHEBI:132816
ChEBI Name6'-O-galloylalbiflorin
Stars
ASCII Name6'-O-galloylalbiflorin
DefinitionA monoterpene glycoside that is albiflorin carrying a galloyl substituent at position 6. Isolated from the roots of Paeonia lactiflora.
Last Modified20 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC30H32O15
Net Charge0
Average Mass632.571
Monoisotopic Mass632.17412
SMILES[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)c1ccccc1)C(=O)O[C@@]3(C)C[C@H]2O
InChIInChI=1S/C30H32O15/c1-28-10-18(33)15-9-30(28,29(15,27(40)45-28)12-42-24(38)13-5-3-2-4-6-13)44-26-23(37)22(36)21(35)19(43-26)11-41-25(39)14-7-16(31)20(34)17(32)8-14/h2-8,15,18-19,21-23,26,31-37H,9-12H2,1H3/t15-,18+,19+,21+,22-,23+,26-,28-,29-,30-/m0/s1
InChIKeyNKYKOCKNAQIWRZ-QKYHNZPSSA-N
Species of MetaboliteComponentSourceComments
Paeonia lactiflora (ncbitaxon:35924) root (BTO:0001188) PubMed (19721258)
Roles Classification
Biological Roles:
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
6'-O-galloylalbiflorin (CHEBI:132816) has functional parent albiflorin (CHEBI:132793)
6'-O-galloylalbiflorin (CHEBI:132816) has role androgen antagonist (CHEBI:35497)
6'-O-galloylalbiflorin (CHEBI:132816) has role antineoplastic agent (CHEBI:35610)
6'-O-galloylalbiflorin (CHEBI:132816) has role plant metabolite (CHEBI:76924)
6'-O-galloylalbiflorin (CHEBI:132816) is a bridged compound (CHEBI:35990)
6'-O-galloylalbiflorin (CHEBI:132816) is a gallate ester (CHEBI:37576)
6'-O-galloylalbiflorin (CHEBI:132816) is a monoterpene glycoside (CHEBI:72293)
6'-O-galloylalbiflorin (CHEBI:132816) is a secondary alcohol (CHEBI:35681)
6'-O-galloylalbiflorin (CHEBI:132816) is a β-D-glucoside (CHEBI:22798)
6'-O-galloylalbiflorin (CHEBI:132816) is a γ-lactone (CHEBI:37581)
Synonym  Source
6'-galloylalbiflorinChEBI
Registry NumbersSources
Reaxys:20005611Reaxys
Citations