EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63664 - taxusin

ChEBI IDCHEBI:63664
ChEBI Nametaxusin
Stars
DefinitionA taxane diterpenoid that is taxa-4(20),11-diene in which the 5α, 9α, 10β and 13α hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood.
Last Modified1 April 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H40O8
Net Charge0
Average Mass504.620
Monoisotopic Mass504.27232
SMILES[H][C@]12C[C@]([H])(OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)C2(C)C
InChIInChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
InChIKeySKJSIVQEPKBFTJ-HUWILPJBSA-N
Roles Classification
Biological Role:
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)
taxusin (CHEBI:63664) has role metabolite (CHEBI:25212)
taxusin (CHEBI:63664) is a acetate ester (CHEBI:47622)
taxusin (CHEBI:63664) is a carbotricyclic compound (CHEBI:38032)
taxusin (CHEBI:63664) is a taxane diterpenoid (CHEBI:50367)
Incoming Relation(s)
1β-hydroxytaxusin (CHEBI:234305) has functional parent taxusin (CHEBI:63664)
2α-hydroxytaxusin (CHEBI:190505) has functional parent taxusin (CHEBI:63664)
2α,7β-dihydroxytaxusin (CHEBI:190506) has functional parent taxusin (CHEBI:63664)
7β-hydroxytaxusin (CHEBI:63665) has functional parent taxusin (CHEBI:63664)
IUPAC Name 
(5α,9α,10β,13α)-taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate
Synonyms  Source
taxa-4(20),11-diene-5α,9α,10β,13α-tetrayl tetraacetateSUBMITTER
(+)-taxusinChEBI
UniProt Name  Source
taxusinUniProt
Registry NumbersSources
Reaxys:3115696Reaxys
CAS:19605-80-2ChemIDplus
Citations