CHEBI:68731 - chaetoglobosin E

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ChEBI Name chaetoglobosin E
ChEBI ID CHEBI:68731
Definition A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H38N2O5
Net Charge 0
Average Mass 530.65450
Monoisotopic Mass 530.278
InChI InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,23,25-26,28,30,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,23-,25-,26-,28-,30+,32+/m0/s1
InChIKey FPNAKNFLJIQADW-CNYNBRRPSA-N
SMILES C[C@H]1C\C=C\[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)CC[C@H](O)C(=O)\C(C)=C\1
Metabolite of Species Details
Chaetomium subaffine (NCBI:txid1036253) See: PubMed
Chaetomium globosum (NCBI:txid38033) See: PubMed
Roles Classification
Biological Role(s): Chaetomium metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via cytochalasan alkaloid )
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 chaetoglobosin E (CHEBI:68731) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin E (CHEBI:68731) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin E (CHEBI:68731) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin E (CHEBI:68731) is a indoles (CHEBI:24828)
chaetoglobosin E (CHEBI:68731) is a macrocycle (CHEBI:51026)
chaetoglobosin E (CHEBI:68731) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione
Manual Xref Database
10406725 ChemSpider
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Registry Numbers Types Sources
55945-74-9 CAS Registry Number ChemIDplus
773196 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
436014 PubMed citation Europe PMC
7116505 PubMed citation Europe PMC
Last Modified
06 February 2018