CHEBI:65667 - crambescidin 826

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name crambescidin 826
ChEBI ID CHEBI:65667
Definition An organic heteropentacyclic guanidine alkaloid isolated from maringe sponge Monanchora sp. It exhibits anti-HIV-1 and anti-HSV-1 activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C47H82N6O6
Net Charge 0
Average Mass 827.19060
Monoisotopic Mass 826.62958
InChI InChI=1S/C47H82N6O6/c1-3-39-25-18-19-30-46(59-39)36-38-28-29-40-43(47(31-21-24-37(2)58-47)51-45(50-46)53(38)40)44(56)57-35-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-42(55)52(34-23-32-48)33-22-26-41(49)54/h18,25,37-40,43H,3-17,19-24,26-36,48H2,1-2H3,(H2,49,54)(H,50,51)/t37-,38+,39+,40-,43-,46+,47-/m1/s1
InChIKey FIZFMEDRNMJYPL-XMXBVVCASA-N
SMILES [H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCC(N)=O)[C@]4(CCC[C@@H](C)O4)N=C(N[C@]4(CCC=C[C@H](CC)O4)C1)N23
Metabolite of Species Details
Monanchora (NCBI:txid283434) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
anti-HIV-1 agent
An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
anti-HSV-1 agent
An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
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 crambescidin 826 (CHEBI:65667) has role anti-HIV-1 agent (CHEBI:64947)
crambescidin 826 (CHEBI:65667) has role anti-HSV-1 agent (CHEBI:64953)
crambescidin 826 (CHEBI:65667) has role marine metabolite (CHEBI:76507)
crambescidin 826 (CHEBI:65667) is a alkaloid (CHEBI:22315)
crambescidin 826 (CHEBI:65667) is a carboxylic ester (CHEBI:33308)
crambescidin 826 (CHEBI:65667) is a guanidines (CHEBI:24436)
crambescidin 826 (CHEBI:65667) is a monocarboxylic acid amide (CHEBI:29347)
crambescidin 826 (CHEBI:65667) is a organic heteropentacyclic compound (CHEBI:38164)
crambescidin 826 (CHEBI:65667) is a primary amino compound (CHEBI:50994)
crambescidin 826 (CHEBI:65667) is a spiro compound (CHEBI:33599)
IUPAC Name
18-[(4-amino-4-oxobutyl)(3-aminopropyl)amino]-18-oxooctadecyl (2R,2a'S,3'R,4'S,6''S,7R,8a'R)-7-ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,6'H-dispiro[oxepine-2,7'-[5,6,8b] triazaacenaphthylene-4',2''-pyran]-3'-carboxylate
Manual Xref Database
10223863 ChemSpider
View more database links
Registry Number Type Source
9835644 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
14640525 PubMed citation Europe PMC
Last Modified
05 March 2014