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nigrasin E

Go to external page http://purl.obolibrary.org/obo/CHEBI_68016

An extended flavonoid that is 1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromene substituted by hydroxy groups at positions 5, 6a and 9, a prenyl group at position 11b, a prop-1-en-2-yl group at position 2 and an oxo group at position 6. It has been isolated from the twigs of Morus nigra.

Term info

Label

nigrasin E

Synonyms
  • (2R*,6aS,11bR)-5,6a,9-trihydroxy-11b-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromen-6-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R*,6aS,11bR)-5,6a,9-trihydroxy-11b-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-1,2,6a,11b-tetrahydro-6H-[1]benzofuro[3,2-b]furo[2,3-h]chromen-6-one [ IUPAC ]

charge

0

formula

C25H24O7

has obo namespace

chebi_ontology

id

CHEBI:68016

inchi

InChI=1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24-,25-/m1/s1

inchikey

HUMOTOGWFSSVMP-ZYKLXPEUSA-N

mass

436.45390

monoisotopicmass

436.15220

smiles

CC(=C)[C@H]1Cc2c(O1)cc(O)c1C(=O)[C@@]3(O)Oc4cc(O)ccc4[C@@]3(CC=C(C)C)Oc21