CHEBI:66447 - scutebarbatine G

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ChEBI Name scutebarbatine G
ChEBI ID CHEBI:66447
Definition A diterpene alkaloid of group of neo-clerodanes isolated from the whole plants of Scutellaria barbata and has been shown to exhibit neoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H33NO7
Net Charge 0
Average Mass 471.54270
Monoisotopic Mass 471.22570
InChI InChI=1S/C26H33NO7/c1-15-7-5-9-17-23(15,2)20(29)21(30)25(4)24(17,3)18(11-26(34-25)12-19(28)32-14-26)33-22(31)16-8-6-10-27-13-16/h6-8,10,13,17-18,20-21,29-30H,5,9,11-12,14H2,1-4H3/t17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChIKey DKZZSXIGMYMOLZ-AYADQQEJSA-N
SMILES CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
Metabolite of Species Details
Scutellaria barbata (NCBI:txid396367) Found in aerial part (BTO:0001658). 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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing scutebarbatine G (CHEBI:66447) has role antineoplastic agent (CHEBI:35610)
scutebarbatine G (CHEBI:66447) has role plant metabolite (CHEBI:76924)
scutebarbatine G (CHEBI:66447) is a diterpene alkaloid (CHEBI:23847)
scutebarbatine G (CHEBI:66447) is a organic heterotetracyclic compound (CHEBI:38163)
scutebarbatine G (CHEBI:66447) is a oxaspiro compound (CHEBI:37948)
scutebarbatine G (CHEBI:66447) is a pyridine alkaloid (CHEBI:26416)
IUPAC Name
rel-(1S,3S,4aR,5S,6R,6aR,10aS,10bS)-5,6-dihydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4',4a,5,5',6,6a,9,10,10a,10b-dodecahydrospiro[benzo[f]chromene-3,3'-furan]-1-yl pyridine-3-carboxylate
Manual Xref Database
C00031330 KNApSAcK
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Registry Number Type Source
15744444 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17666848 PubMed citation Europe PMC
Last Modified
01 December 2014