CHEBI:9443 - tephrowatsin A

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ChEBI Name tephrowatsin A
ChEBI ID CHEBI:9443
Definition A hydroxyflavan that is (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H26O4
Net Charge 0
Average Mass 354.43940
Monoisotopic Mass 354.18311
InChI InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1
InChIKey ADIMMCHZVYYGPW-MSOLQXFVSA-N
SMILES COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1
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.
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ChEBI Ontology
Outgoing tephrowatsin A (CHEBI:9443) has parent hydride (2S)-flavan (CHEBI:36103)
tephrowatsin A (CHEBI:9443) has role plant metabolite (CHEBI:76924)
tephrowatsin A (CHEBI:9443) is a hydroxyflavan (CHEBI:72010)
tephrowatsin A (CHEBI:9443) is a methoxyflavan (CHEBI:72585)
IUPAC Name
(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
Synonym Source
(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC
Manual Xrefs Databases
C00001009 KNApSAcK
C09970 KEGG COMPOUND
LMPK12020160 LIPID MAPS
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Registry Numbers Types Sources
6575448 Reaxys Registry Number Reaxys
97640-79-4 CAS Registry Number KEGG COMPOUND
Last Modified
02 June 2015