dichotomide IV (CHEBI:70212)

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CHEBI:70212 - dichotomide IV

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ChEBI Name	dichotomide IV

ChEBI ID	CHEBI:70212

Definition	A β-carboline alkaloid found in Stellaria dichotoma var. lanceolata.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C24H25N3O10

Net Charge

Average Mass

515.46940

Monoisotopic Mass

515.15399

InChI

InChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)/b7-6+/t15-,20-,21+,22-,24-/m1/s1

InChIKey

UMGPWCXTJXKPHK-INDRKVQXSA-N

SMILES

COC(=O)\C=C\NC(=O)c1cc2c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3[nH]c2c(n1)C(C)=O

Metabolite of Species	Details
Stellaria dichotoma var. lanceolata (IPNI:50920984-1)	Found in root (BTO:0001188). Methanolic extract of air-dried, powdered roots 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 )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	dichotomide IV (CHEBI:70212) has role plant metabolite (CHEBI:76924) dichotomide IV (CHEBI:70212) is a β-D-glucoside (CHEBI:22798) dichotomide IV (CHEBI:70212) is a β-carboline alkaloid (CHEBI:83325) dichotomide IV (CHEBI:70212) is a aromatic ketone (CHEBI:76224) dichotomide IV (CHEBI:70212) is a enoate ester (CHEBI:51702) dichotomide IV (CHEBI:70212) is a methyl ester (CHEBI:25248) dichotomide IV (CHEBI:70212) is a monocarboxylic acid amide (CHEBI:29347) dichotomide IV (CHEBI:70212) is a monosaccharide derivative (CHEBI:63367) dichotomide IV (CHEBI:70212) is a organic heterotricyclic compound (CHEBI:26979)

IUPAC Name

methyl (2E)-3-{[(1-acetyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-9H-β-carbolin-3-yl)carbonyl]amino}prop-2-enoate

Registry Number	Type	Source
21155703	Reaxys Registry Number	Reaxys

Citation	Type	Source
21090796	PubMed citation	Europe PMC

Last Modified

11 March 2015

CHEBI:70212 - dichotomide IV

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