CHEBI:63664 - taxusin

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ChEBI Name taxusin
ChEBI ID CHEBI:63664
Definition A taxane diterpenoid that is taxa-4(20),11-diene in which the 5α, 9α, 10β and 13α hydrogens have been replaced by acetoxy groups.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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H40O8
Net Charge 0
Average Mass 504.61240
Monoisotopic Mass 504.272
InChI InChI=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
InChIKey SKJSIVQEPKBFTJ-HUWILPJBSA-N
SMILES [H][C@@]1(C[C@@]2([H])C[C@]3([H])C(=C)[C@H](CC[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)OC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
IUPAC Name
(5α,9α,10β,13α)-taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate
Synonyms Sources
(+)-taxusin ChEBI
taxa-4(20),11-diene-5α,9α,10β,13α-tetrayl tetraacetate SUBMITTER
taxusin UniProt
Registry Numbers Types Sources
19605-80-2 CAS Registry Number ChemIDplus
3115696 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15157877 PubMed citation SUBMITTER
Last Modified
19 January 2012
General Comment
2012-01-19 Needed for the reaction: taxusin + O2 + NADPH + H+ = 7beta-hydroxytaxusin + NADP+ + H2O