CHEBI:140297 - 4'-O-demethylsordarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4'-O-demethylsordarin
ChEBI ID CHEBI:140297
ChEBI ASCII Name 4'-O-demethylsordarin
Definition A tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-β-D-altropyranosyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H38O8
Net Charge 0
Average Mass 478.576
Monoisotopic Mass 478.25667
InChI InChI=1S/C26H38O8/c1-12(2)18-7-15-8-24(10-27)17-6-5-13(3)16(17)9-25(15,26(18,24)23(31)32)11-33-22-21(30)20(29)19(28)14(4)34-22/h7,10,12-17,19-22,28-30H,5-6,8-9,11H2,1-4H3,(H,31,32)/t13-,14-,15+,16-,17-,19-,20-,21+,22-,24+,25+,26+/m1/s1
InChIKey YTWDSZAPPKUSFS-OIAXQXJYSA-N
SMILES [C@@]12([C@]3([C@](C[C@@]1([C@]4([H])CC[C@H]([C@]4(C3)[H])C)C=O)(C=C2C(C)C)[H])CO[C@]5([C@H]([C@@H]([C@@H]([C@H](O5)C)O)O)O)[H])C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4'-O-demethylsordarin (CHEBI:140297) has role fungal metabolite (CHEBI:76946)
4'-O-demethylsordarin (CHEBI:140297) is a 3-oxo monocarboxylic acid (CHEBI:47881)
4'-O-demethylsordarin (CHEBI:140297) is a aldehyde (CHEBI:17478)
4'-O-demethylsordarin (CHEBI:140297) is a bridged compound (CHEBI:35990)
4'-O-demethylsordarin (CHEBI:140297) is a glycoside (CHEBI:24400)
4'-O-demethylsordarin (CHEBI:140297) is a monosaccharide derivative (CHEBI:63367)
4'-O-demethylsordarin (CHEBI:140297) is a tetracyclic diterpenoid (CHEBI:52557)
4'-O-demethylsordarin (CHEBI:140297) is conjugate acid of 4'-O-demethylsordarin(1−) (CHEBI:140233)
Incoming 4'-O-demethylsordarin(1−) (CHEBI:140233) is conjugate base of 4'-O-demethylsordarin (CHEBI:140297)
IUPAC Name
(1R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-β-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
Synonyms Sources
4'-Demethylsordarin KNApSAcK
4'-O-demethyl sordarin ChEBI
Manual Xrefs Databases
C00015132 KNApSAcK
CPD-20459 MetaCyc
View more database links
Registry Numbers Types Sources
178970-49-5 CAS Registry Number KNApSAcK
25336129 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19249360 PubMed citation Europe PMC
27072286 PubMed citation Europe PMC
Last Modified
01 March 2018