CHEBI:68089 - Grandilodine C

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ChEBI Name Grandilodine C
ChEBI ID CHEBI:68089
Definition A natural product found in Kopsia grandifolia.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H20N2O5
Net Charge 0
Average Mass 380.39390
Monoisotopic Mass 380.13722
InChI InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19+,20+,21+/m0/s1
InChIKey STACHDUHGOCYFP-RKTMXUFFSA-N
SMILES [H][C@@]12C[C@@]34CC[C@@]11N(C(=O)OC)c5ccccc5[C@@]1(CCN3C(=O)C=C4)OC2=O
Metabolite of Species Details
Kopsia grandifolia (IPNI:60436655-2) Found in leaf (BTO:0000713). leaf extract See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Grandilodine C (CHEBI:68089) has role metabolite (CHEBI:25212)
Grandilodine C (CHEBI:68089) is a indolyl carboxylic acid (CHEBI:46867)
Synonym Source
Methyl (1R,9R,12R,21R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.0[1,9].0[2,7].0[9,21].0[12,16]]docosa-2,4,6,13-tetraene-8-carboxylate ChEBI
Citation Waiting for Citations Type Source
21428274 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aralkylamine(CHEBI:18000); ISA:gamma-lactone(CHEBI:37581); ISA:dicarboxylic acid(CHEBI:35692); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroline(CHEBI:23763); ISA:oxolanes(CHEBI:26912); ISA:carboxamide(CHEBI:37622); ISA:carbamate ester(CHEBI:23003); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);