CHEBI:4553 - dihydroanhydropodorhizol

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ChEBI Name dihydroanhydropodorhizol
ChEBI ID CHEBI:4553
Definition A member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H24O7
Net Charge 0
Average Mass 400.423
Monoisotopic Mass 400.15220
InChI InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKey GMLDZDDTZKXJLU-JKSUJKDBSA-N
SMILES [C@H]1([C@@H](CC2=CC3=C(OCO3)C=C2)COC1=O)CC4=CC(=C(OC)C(=C4)OC)OC
Metabolite of Species Details
Austrocedrus chilensis (NCBI:txid103964) See: PubMed
Chamaecyparis obtusa (NCBI:txid13415) See: PubMed
Anthriscus sylvestris (NCBI:txid48027) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydroanhydropodorhizol (CHEBI:4553) has role plant metabolite (CHEBI:76924)
dihydroanhydropodorhizol (CHEBI:4553) is a benzodioxoles (CHEBI:38298)
dihydroanhydropodorhizol (CHEBI:4553) is a butan-4-olide (CHEBI:22950)
dihydroanhydropodorhizol (CHEBI:4553) is a lignan (CHEBI:25036)
dihydroanhydropodorhizol (CHEBI:4553) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Synonyms Sources
(−)-yatein UniProt
(-)-Deoxypodorhizone KNApSAcK
Yatein KNApSAcK
Manual Xrefs Databases
C00002598 KNApSAcK
C10557 KEGG COMPOUND
CPD-17595 MetaCyc
View more database links
Registry Numbers Types Sources
40456-50-6 CAS Registry Number KEGG COMPOUND
40456-50-6 CAS Registry Number ChemIDplus
40456-50-6 CAS Registry Number NIST Chemistry WebBook
4300660 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12956064 PubMed citation Europe PMC
16540181 PubMed citation Europe PMC
25420758 PubMed citation Europe PMC
26091020 PubMed citation Europe PMC
Last Modified
11 January 2016