CHEBI:66349 - variecolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name variecolin
ChEBI ID CHEBI:66349
Definition A natural product found in several Aspergillus species.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Wikipedia License
Variecolin is a terpenoid isolated from an ascomycete.
Read full article at Wikipedia
Formula C25H36O2
Net Charge 0
Average Mass 368.561
Monoisotopic Mass 368.27153
InChI InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1
InChIKey XAYQASOMEVLRKN-NOJNFTMQSA-N
SMILES [H]C(=O)C1=C/C[C@@]2([H])[C@]3([H])[C@H](CC[C@@]3(C)CC[C@]2(C)C[C@@]2([H])[C@@H](C)CC(=O)[C@@]\12[H])C(C)=C
Metabolite of Species Details
Aspergillus japonicus (NCBI:txid34381) of strain CAM231 See: PubMed
Phoma (NCBI:txid37463) See: JPN PATENT JP 10045662
Aspergillus aurantiobrunneus (NCBI:txid41725) Species also known as Emericella aurantiobrunnea. See: PubMed
Aspergillus var.ecolor (NCBI:txid469282) of strain MF 138 See: DOI
Aspergillus aculeatus (NCBI:txid5053) of strain KKU-CT2 See: PubMed
Aspergillus oryzae (NCBI:txid5062) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
chemokine receptor 5 antagonist
An antogonist that blocks chemokine receptor 5 (CCR5).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing variecolin (CHEBI:66349) has role Aspergillus metabolite (CHEBI:76956)
variecolin (CHEBI:66349) has role chemokine receptor 5 antagonist (CHEBI:63673)
variecolin (CHEBI:66349) is a carbotetracyclic compound (CHEBI:177332)
variecolin (CHEBI:66349) is a cyclic ketone (CHEBI:3992)
variecolin (CHEBI:66349) is a enal (CHEBI:51688)
variecolin (CHEBI:66349) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
(2aS,5S,5aS,5bS,7E,8aR,11S,11aS,12aR)-2a,11,12a-trimethyl-9-oxo-5-(prop-1-en-2-yl)-1,2,2a,3,4,5,5a,5b,6,8a,9,10,11,11a,12,12a-hexadecahydrocyclopenta[4,5]cycloocta[1,2-e]indene-8-carbaldehyde
Synonyms Sources
(−)-variecolin KNApSAcK
variecolin UniProt
Manual Xrefs Databases
C00033466 KNApSAcK
Variecolin Wikipedia
View more database links
Registry Number Type Source
133101-16-3 CAS Registry Number KNApSAcK
Citations
Last Modified
17 April 2024