CHEBI:5994 - isochamaejasmin

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ChEBI Name isochamaejasmin
ChEBI ID CHEBI:5994
Definition A biflavonoid that consists of two units of 5,7,4'-trihydroxyflavanone joined together at position 3 and 3''.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H22O10
Net Charge 0
Average Mass 542.48970
Monoisotopic Mass 542.12130
InChI InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26+,29+,30-
InChIKey RNQBLQALVMHBKH-SQYWJIFTSA-N
SMILES Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1
Metabolite of Species Details
Stellera chamaejasme (NCBI:txid142738) Found in root (BTO:0001188). 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 isochamaejasmin (CHEBI:5994) has role plant metabolite (CHEBI:76924)
isochamaejasmin (CHEBI:5994) is a biflavonoid (CHEBI:50128)
isochamaejasmin (CHEBI:5994) is a hydroxyflavone (CHEBI:24698)
IUPAC Name
(2R,2'S,3S,3'R)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-[3,3'-bi-1-benzopyran]-4,4'-dione
Synonym Source
3,3''-Binaringenin KEGG COMPOUND
Manual Xrefs Databases
C00000972 KNApSAcK
C09758 KEGG COMPOUND
LMPK12040001 LIPID MAPS
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Registry Numbers Types Sources
5198900 Reaxys Registry Number Reaxys
93859-63-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
16141313 PubMed citation Europe PMC
22312302 PubMed citation Europe PMC
Last Modified
12 June 2015