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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7005 - morusin
Main
ChEBI Ontology
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ChEBI Name
morusin
ChEBI ID
CHEBI:7005
Definition
An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H24O6
Net Charge
0
Average Mass
420.45450
Monoisotopic Mass
420.15729
InChI
InChI=1S/C25H24O6/c1-
13(2)
5-
7-
17-
22(29)
21-
19(28)
12-
20-
16(9-
10-
25(3,4)
31-
20)
24(21)
30-
23(17)
15-
8-
6-
14(26)
11-
18(15)
27/h5-
6,8-
12,26-
28H,7H2,1-
4H3
InChIKey
XFFOMNJIDRDDLQ-UHFFFAOYSA-N
SMILES
CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O
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
morusin (
CHEBI:7005
)
has role
antineoplastic agent (
CHEBI:35610
)
morusin (
CHEBI:7005
)
has role
plant metabolite (
CHEBI:76924
)
morusin (
CHEBI:7005
)
is a
extended flavonoid (
CHEBI:71037
)
morusin (
CHEBI:7005
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
2-
(2,4-
dihydroxyphenyl)-
5-
hydroxy-
8,8-
dimethyl-
3-
(3-
methylbut-
2-
en-
1-
yl)-
4
H
,8
H
-
benzo[1,2-
b
:3,4-
b'
]dipyran-
4-
one
Manual Xrefs
Databases
C00001070
KNApSAcK
C10106
KEGG COMPOUND
HMDB0036631
HMDB
View more database links
Registry Numbers
Types
Sources
1442330
Reaxys Registry Number
Reaxys
62596-29-6
CAS Registry Number
KEGG COMPOUND
62596-29-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25237377
PubMed citation
Europe PMC
25476160
PubMed citation
Europe PMC
25628938
PubMed citation
Europe PMC
Last Modified
16 March 2015