CHEBI:68735 - chaetoglobosin J

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ChEBI Name chaetoglobosin J
ChEBI ID CHEBI:68735
Definition A cytochalasan alkaloid found in Chaetomium globosum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H36N2O4
Net Charge 0
Average Mass 512.63920
Monoisotopic Mass 512.26751
InChI InChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1
InChIKey XSYISNGSIFFBMR-YGCMOINNSA-N
SMILES C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@H](C=C1C)\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C2=O
Metabolite of Species Details
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 J (CHEBI:68735) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin J (CHEBI:68735) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin J (CHEBI:68735) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin J (CHEBI:68735) is a indoles (CHEBI:24828)
chaetoglobosin J (CHEBI:68735) is a macrocycle (CHEBI:51026)
chaetoglobosin J (CHEBI:68735) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(3S,3aR,4S,6aS,7E,10S,11E,13R,15E,17aS)-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual Xref Database
4952952 ChemSpider
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Registry Numbers Types Sources
65745-47-3 CAS Registry Number ChemIDplus
735570 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15497948 PubMed citation Europe PMC
Last Modified
06 February 2018