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CHEBI:190505 - 2α-hydroxytaxusin

ChEBI IDCHEBI:190505
ChEBI Name2α-hydroxytaxusin
Stars
ASCII Name2alpha-hydroxytaxusin
DefinitionA taxane diterpenoid that is taxusin substituted by a hydroxy group at position 2α.
Last Modified30 March 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H40O9
Net Charge0
Average Mass520.619
Monoisotopic Mass520.26723
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])[C@@H]1O)C2(C)C
InChIInChI=1S/C28H40O9/c1-13-20(34-15(3)29)10-11-28(9)22(13)24(33)19-12-21(35-16(4)30)14(2)23(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-22,24-26,33H,1,10-12H2,2-9H3/t19-,20-,21-,22-,24+,25+,26-,28+/m0/s1
InChIKeySCJZVZRWMAAWIK-IMWBZJKQSA-N
Species of MetaboliteComponentSourceComments
Pseudotaxus chienii (ncbitaxon:89481) - PubMed (33622251)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2α-hydroxytaxusin (CHEBI:190505) has functional parent taxusin (CHEBI:63664)
2α-hydroxytaxusin (CHEBI:190505) has role plant metabolite (CHEBI:76924)
2α-hydroxytaxusin (CHEBI:190505) is a acetate ester (CHEBI:47622)
2α-hydroxytaxusin (CHEBI:190505) is a carbotricyclic compound (CHEBI:38032)
2α-hydroxytaxusin (CHEBI:190505) is a secondary alcohol (CHEBI:35681)
2α-hydroxytaxusin (CHEBI:190505) is a taxane diterpenoid (CHEBI:50367)
IUPAC Name 
2-hydroxy-2α,5α,9α,10β,13α-taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate
UniProt Name  Source
2α-hydroxytaxusinUniProt
Manual XrefsDatabases
CPD-14478MetaCyc
Citations