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CHEBI:68022 - sanggenol H

ChEBI IDCHEBI:68022
ChEBI Namesanggenol H
Stars
DefinitionAn organic heterotetracyclic compound that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a triprenyl group at position 5a. It has been isolated from Morus nigra.
Last Modified1 October 2014
DownloadsMolfile
FormulaC30H34O7
Net Charge0
Average Mass506.595
Monoisotopic Mass506.23045
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12
InChIInChI=1S/C30H34O7/c1-18(2)7-5-8-19(3)9-6-10-20(4)13-14-29-23-12-11-21(31)16-25(23)37-30(29,35)28(34)27-24(33)15-22(32)17-26(27)36-29/h7,9,11-13,15-17,31-33,35H,5-6,8,10,14H2,1-4H3/b19-9+,20-13+/t29-,30-/m0/s1
InChIKeyCPWWQVCCRBAKMX-KHAFAKOJSA-N
Species of MetaboliteComponentSourceComments
Morus nigra (ncbitaxon:85232) twig (BTO:0001411) PubMed (21401118) Milled, air-dried twigs were percolated with 95% ethanol
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
sanggenol H (CHEBI:68022) has role plant metabolite (CHEBI:76924)
sanggenol H (CHEBI:68022) is a extended flavonoid (CHEBI:71037)
sanggenol H (CHEBI:68022) is a organic heterotetracyclic compound (CHEBI:38163)
sanggenol H (CHEBI:68022) is a polyphenol (CHEBI:26195)
IUPAC Name 
(5aS,10aR)-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one
Registry NumbersSources
Reaxys:21444294Reaxys
Citations