CHEBI:172345 - chaetoglobosin P

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name chaetoglobosin P
ChEBI ID CHEBI:172345
Definition An alkaloid isolated from Discosia rubi that is chaetoglobosin A with a methyl substituent on C-10.
Stars This entity has been manually annotated by a third party.
Submitter Martin Larralde
Supplier Information
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Formula C33H38N2O5
Net Charge 0
Average Mass 542.676
Monoisotopic Mass 542.27807
InChI InChI=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
InChIKey YLBJYVFDYOTYHW-QLDXQYSGSA-N
SMILES [H][C@]1(NC(=O)[C@@]23C(=O)\C=C\C(=O)[C@H](O)\C(C)=C/[C@@H](C)C\C=C\[C@@]2([H])[C@@H]2O[C@]2(C)[C@@H](C)[C@@]13[H])[C@H](C)C1=CNC2=C1C=CC=C2
Metabolite of Species Details
Discosia sp. (NCBI:txid1715227) of strain TCF 9535 See: DOI
Discosia rubi (NCBI:txid2502037) of strain TTI-0885 See: PubMed
Roles Classification
Biological Role(s): 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.
(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
191403-93-7 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
32308719 PubMed citation Europe PMC
32849391 PubMed citation SUBMITTER
Last Modified
13 July 2021