Ignavine (CHEBI:138829)

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CHEBI:138829 - Ignavine

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ChEBI ID	CHEBI:138829
ChEBI Name	Ignavine
Stars
Last Modified	25 October 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C27H31NO5
Net Charge	0
Average Mass	449.547
Monoisotopic Mass	449.22022
SMILES	[H][C@]12CC3C4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)CC47[C@](O)(C1)C3(C[C@]5([H])[C@@]76[H])[C@H](O)C2=C
InChI	InChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16?,17+,18+,19+,20?,21+,22-,24-,25?,26?,27-/m0/s1
InChIKey	FOIZZXKAYVIZQC-HBFXMWHYSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	Ignavine (CHEBI:138829) is a diterpene alkaloid (CHEBI:23847)

Synonym	Source
(2α,3β,6gluco,14ε,15β,20ε)-3,9,15-Trihydroxyhetisan-2-yl benzoate	ChEBI

Manual Xrefs	Databases
2299598	ChemSpider