CHEBI:70400 - oxaline

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ChEBI Name oxaline
ChEBI ID CHEBI:70400
Definition An indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum and has been shown to exhibit cytotoxic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H25N5O4
Net Charge 0
Average Mass 447.48640
Monoisotopic Mass 447.191
InChI InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m1/s1
InChIKey SOHAVULMGIITDH-SSDCDQDPSA-N
SMILES CON1c2ccccc2[C@]2(C=C(OC)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C
Metabolite of Species Details
Penicillium oxalicum (NCBI:69781) of strain F30 See: PubMed
Roles Classification
Biological Role(s): Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
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 oxaline (CHEBI:70400) has role Penicillium metabolite (CHEBI:76964)
oxaline (CHEBI:70400) has role antineoplastic agent (CHEBI:35610)
oxaline (CHEBI:70400) is a enol ether (CHEBI:47985)
oxaline (CHEBI:70400) is a imidazoles (CHEBI:24780)
oxaline (CHEBI:70400) is a indole alkaloid (CHEBI:38958)
oxaline (CHEBI:70400) is a lactam (CHEBI:24995)
oxaline (CHEBI:70400) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
(3E,7aS,12aR)-3-(1H-imidazol-4-ylmethylidene)-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
Database Link Database
Oxaline Wikipedia
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Registry Numbers Types Sources
55623-37-5 CAS Registry Number ChemIDplus
5672077 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12568352 PubMed citation Europe PMC
15276324 PubMed citation Europe PMC
15727480 PubMed citation Europe PMC
21053938 PubMed citation Europe PMC
22719429 PubMed citation Europe PMC
Last Modified
13 January 2014