CHEBI:68734 - chaetoglobosin B

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ChEBI Name chaetoglobosin B
ChEBI ID CHEBI:68734
Definition A natural product 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 C32H36N2O5
Net Charge 0
Average Mass 528.63860
Monoisotopic Mass 528.26242
InChI InChI=1S/C32H36N2O5/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/h5-7,9-14,16-17,23,25,28-30,33,37-38H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,23-,25-,28-,29+,30+,32+/m0/s1
InChIKey VUEFRYQBOMQOMV-MLXGBZTESA-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)\C=C\C(=O)[C@H](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.
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ChEBI Ontology
Outgoing chaetoglobosin B (CHEBI:68734) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin B (CHEBI:68734) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin B (CHEBI:68734) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin B (CHEBI:68734) is a indoles (CHEBI:24828)
chaetoglobosin B (CHEBI:68734) is a macrocycle (CHEBI:51026)
chaetoglobosin B (CHEBI:68734) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-6,13-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual Xref Database
10406713 ChemSpider
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Registry Number Type Source
5787084 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15497948 PubMed citation Europe PMC
Last Modified
06 February 2018