CHEBI:66446 - scutebarbatine F

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ChEBI Name scutebarbatine F
ChEBI ID CHEBI:66446
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.
Supplier Information
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Formula C30H37NO9
Net Charge 0
Average Mass 555.61610
Monoisotopic Mass 555.24683
InChI InChI=1S/C30H37NO9/c1-17-9-7-11-21-27(17,4)24(39-26(35)20-10-8-12-31-15-20)25(38-19(3)33)29(6)28(21,5)22(37-18(2)32)13-30(40-29)14-23(34)36-16-30/h8-10,12,15,21-22,24-25H,7,11,13-14,16H2,1-6H3/t21-,22-,24-,25-,27-,28-,29-,30-/m0/s1
InChIKey PGDYKRFBYIVCFR-VCKVKWFOSA-N
SMILES CC(=O)O[C@H]1C[C@]2(COC(=O)C2)O[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@]3(C)[C@H](CCC=C3C)[C@@]12C
Metabolite of Species Details
Scutellaria barbata (NCBI:txid396367) Found in whole plant (BTO:0001461). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing scutebarbatine F (CHEBI:66446) has role antineoplastic agent (CHEBI:35610)
scutebarbatine F (CHEBI:66446) has role plant metabolite (CHEBI:76924)
scutebarbatine F (CHEBI:66446) is a acetate ester (CHEBI:47622)
scutebarbatine F (CHEBI:66446) is a diterpene alkaloid (CHEBI:23847)
scutebarbatine F (CHEBI:66446) is a organic heterotetracyclic compound (CHEBI:38163)
scutebarbatine F (CHEBI:66446) is a oxaspiro compound (CHEBI:37948)
scutebarbatine F (CHEBI:66446) is a pyridine alkaloid (CHEBI:26416)
IUPAC Name
rel-(1S,3S,4aR,5S,6R,6aR,10aS,10bS)-1,5-bis(acetyloxy)-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]-6-yl pyridine-3-carboxylate
Manual Xref Database
C00031329 KNApSAcK
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Registry Number Type Source
10407265 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16755060 PubMed citation Europe PMC
Last Modified
01 December 2014