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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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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.
View more via ChEBI Ontology
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
(3
R
)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2
H
-chromen-7-ol
Synonyms
Sources
(3
R
)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2
H
-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