CHEBI:68736 - chaetoglobosin Q

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ChEBI Name chaetoglobosin Q
ChEBI ID CHEBI:68736
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 C32H38N2O6
Net Charge 0
Average Mass 546.65390
Monoisotopic Mass 546.27299
InChI InChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37-38,40H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1
InChIKey GXXPQGPTEVHUTJ-VOXRAUTJSA-N
SMILES C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C2=O)[C@H](O)[C@]1(C)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 Q (CHEBI:68736) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin Q (CHEBI:68736) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin Q (CHEBI:68736) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin Q (CHEBI:68736) is a indoles (CHEBI:24828)
chaetoglobosin Q (CHEBI:68736) is a macrocycle (CHEBI:51026)
chaetoglobosin Q (CHEBI:68736) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(3S,3aR,4S,5R,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual Xref Database
9436334 ChemSpider
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Registry Number Type Source
10509031 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15497948 PubMed citation Europe PMC
Last Modified
06 February 2018