CHEBI:68015 - nigrasin D

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ChEBI Name nigrasin D
ChEBI ID CHEBI:68015
Definition An extended flavonoid that is the 2R*-diastereomer of nigrasin C. It has been isolated from the twigs of Morus nigra.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H26O8
Net Charge 0
Average Mass 454.46910
Monoisotopic Mass 454.16277
InChI InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(28)20-18(32-24)11-16-14(21(20)27)10-19(31-16)23(3,4)29/h5-7,9,11,19,26-27,29-30H,8,10H2,1-4H3/t19-,24-,25-/m1/s1
InChIKey TXDONVUXISPTKQ-UKDVSSAZSA-N
SMILES CC(C)=CC[C@]12Oc3cc4O[C@H](Cc4c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc21)C(C)(C)O
Metabolite of Species Details
Morus nigra (NCBI:txid85232) Found in twig (BTO:0001411). Milled, air-dried twigs were percolated with 95% ethanol See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nigrasin D (CHEBI:68015) has role plant metabolite (CHEBI:76924)
nigrasin D (CHEBI:68015) is a extended flavonoid (CHEBI:71037)
nigrasin D (CHEBI:68015) is a organic heteropentacyclic compound (CHEBI:38164)
nigrasin D (CHEBI:68015) is a polyphenol (CHEBI:26195)
IUPAC Name
(2R*,5aS,10bR)-4,5a,8-trihydroxy-2-(2-hydroxypropan-2-yl)-10b-(3-methylbut-2-en-1-yl)-2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromen-5-one
Registry Number Type Source
21444289 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401118 PubMed citation Europe PMC
Last Modified
01 October 2014