CHEBI:115 - (−)-sativan

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ChEBI Name (−)-sativan
ChEBI ID CHEBI:115
ChEBI ASCII Name (-)-sativan
Definition A methoxyisoflavan that is (R)-isoflavan substituted by methoxy groups at positions 2' and 4' and a hydroxy group at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H18O4
Net Charge 0
Average Mass 286.32240
Monoisotopic Mass 286.12051
InChI InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
InChIKey TUXCLJQCYVCGDW-LBPRGKRZSA-N
SMILES COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(OC)c1
Metabolite of Species Details
Baphia nitida (NCBI:txid162666) See: DOI
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 (−)-sativan (CHEBI:115) has parent hydride (R)-isoflavan (CHEBI:36101)
(−)-sativan (CHEBI:115) has role plant metabolite (CHEBI:76924)
(−)-sativan (CHEBI:115) is a hydroxyisoflavans (CHEBI:76250)
(−)-sativan (CHEBI:115) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Synonyms Sources
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol ChemIDplus
2-hydroxy-2',4'-dimethoxyisoflavan ChEBI
sativin ChemIDplus
Manual Xrefs Databases
C00002570 KNApSAcK
C10526 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1397593 Reaxys Registry Number Reaxys
41743-86-6 CAS Registry Number KEGG COMPOUND
41743-86-6 CAS Registry Number ChemIDplus
Last Modified
18 June 2015