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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7014 - mucronulatol
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ChEBI Name
mucronulatol
ChEBI ID
CHEBI:7014
Definition
A methoxyisoflavan that is (
S
)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H18O5
Net Charge
0
Average Mass
302.32180
Monoisotopic Mass
302.11542
InChI
InChI=1S/C17H18O5/c1-
20-
14-
6-
5-
13(17(21-
2)
16(14)
19)
11-
7-
10-
3-
4-
12(18)
8-
15(10)
22-
9-
11/h3-
6,8,11,18-
19H,7,9H2,1-
2H3/t11-
/m1/s1
InChIKey
NUNFZNIXYWTZMW-LLVKDONJSA-N
SMILES
COc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1O
Metabolite of Species
Details
Robinia pseudoacacia
(NCBI:txid35938)
Found in whole plant
(BTO:0001461)
. 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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
mucronulatol (
CHEBI:7014
)
has functional parent
(
S
)-isoflavan (
CHEBI:36100
)
mucronulatol (
CHEBI:7014
)
has role
antineoplastic agent (
CHEBI:35610
)
mucronulatol (
CHEBI:7014
)
has role
plant metabolite (
CHEBI:76924
)
mucronulatol (
CHEBI:7014
)
is a
hydroxyisoflavans (
CHEBI:76250
)
mucronulatol (
CHEBI:7014
)
is a
methoxyisoflavan (
CHEBI:77002
)
IUPAC Name
(3
S
)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2
H
-1-benzopyran-7-ol
Synonym
Source
(−)-mucronulatol
ChEBI
Manual Xrefs
Databases
C00002551
KNApSAcK
C10507
KEGG COMPOUND
LMPK12080024
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
11296967
Reaxys Registry Number
Reaxys
20878-97-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
18538108
PubMed citation
Europe PMC
21214467
PubMed citation
Europe PMC
Last Modified
09 June 2015