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CHEBI:172345 - chaetoglobosin P

ChEBI IDCHEBI:172345
ChEBI Namechaetoglobosin P
Stars
DefinitionAn alkaloid isolated from Discosia rubi that is chaetoglobosin A with a methyl substituent on C-10.
Last Modified13 July 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC33H38N2O5
Net Charge0
Average Mass542.676
Monoisotopic Mass542.27807
SMILES[H][C@@]12[C@H](C)[C@@]3(C)O[C@H]3[C@]3([H])/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C/C(=O)[C@@]13C(=O)N[C@@]2([H])[C@H](C)c1cnc2ccccc12
InChIInChI=1S/C33H38N2O5/c1-17-9-8-11-23-30-32(5,40-30)20(4)27-28(19(3)22-16-34-24-12-7-6-10-21(22)24)35-31(39)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-17,19-20,23,27-30,34,38H,9H2,1-5H3,(H,35,39)/b11-8+,14-13+,18-15-/t17-,19+,20-,23-,27-,28-,29+,30-,32+,33+/m0/s1
InChIKeyYLBJYVFDYOTYHW-QLDXQYSGSA-N
Species of MetaboliteComponentSourceComments
Discosia rubi (ncbitaxon:2502037) - PubMed (32849391) Strain: TTI-0885
Discosia sp. (ncbitaxon:1715227) - DOI (10.1080/10575639708043695) Strain: TCF 9535
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
chaetoglobosin P (CHEBI:172345) has functional parent chaetoglobosin A (CHEBI:68798)
chaetoglobosin P (CHEBI:172345) has role antifungal agent (CHEBI:35718)
chaetoglobosin P (CHEBI:172345) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin P (CHEBI:172345) is a epoxide (CHEBI:32955)
chaetoglobosin P (CHEBI:172345) is a indoles (CHEBI:24828)
chaetoglobosin P (CHEBI:172345) is a macrocycle (CHEBI:51026)
chaetoglobosin P (CHEBI:172345) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-7-hydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione
Registry NumbersSources
CAS:191403-93-7ChEBI
Citations