CHEBI:66008 - hederacine B

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ChEBI Name hederacine B
ChEBI ID CHEBI:66008
Definition An alkaloid isolated from Glechoma hederaceae.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H24N2O2
Net Charge 0
Average Mass 276.37400
Monoisotopic Mass 276.18378
InChI InChI=1S/C16H24N2O2/c1-9-10-7-12-14(2)6-5-11(17)15(14,3)8-16(10,18(12)4)20-13(9)19/h11-12H,5-8,17H2,1-4H3/t11-,12+,14-,15-,16-/m1/s1
InChIKey BVSWLVMJRQRUFY-UDUPFKKZSA-N
SMILES [H][C@]12CC3=C(C)C(=O)O[C@@]3(C[C@]3(C)[C@H](N)CC[C@]13C)N2C
Metabolite of Species Details
Glechoma hederacea (NCBI:txid28509) Found in aerial part (BTO:0001658). See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hederacine B (CHEBI:66008) has role metabolite (CHEBI:25212)
hederacine B (CHEBI:66008) is a γ-lactone (CHEBI:37581)
hederacine B (CHEBI:66008) is a alkaloid (CHEBI:22315)
hederacine B (CHEBI:66008) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(5S,5aS,8R,8aS,9aR)-8-amino-3,5a,8a,10-tetramethyl-4,5,5a,6,7,8,8a,9-octahydro-2H-5,9a-epiminoazuleno[5,6-b]furan-2-one
Registry Number Type Source
9508098 Reaxys Registry Number Reaxys
Last Modified
19 August 2013
General Comment
2013-08-19 Tetrahedron, 2003 , 59(34), 6403 - 6408.