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> Main
CHEBI:4324 - daphnoretin
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ChEBI Ontology
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ChEBI Name
daphnoretin
ChEBI ID
CHEBI:4324
Definition
A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2
H
-chromen-7-yl)oxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H12O7
Net Charge
0
Average Mass
352.29440
Monoisotopic Mass
352.05830
InChI
InChI=1S/C19H12O7/c1-
23-
16-
6-
11-
7-
17(19(22)
26-
15(11)
9-
13(16)
20)
24-
12-
4-
2-
10-
3-
5-
18(21)
25-
14(10)
8-
12/h2-
9,20H,1H3
InChIKey
JRHMMVBOTXEHGJ-UHFFFAOYSA-N
SMILES
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent
A substance that destroys or inhibits replication of viruses.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
daphnoretin (
CHEBI:4324
)
has functional parent
coumarin (
CHEBI:28794
)
daphnoretin (
CHEBI:4324
)
has role
antineoplastic agent (
CHEBI:35610
)
daphnoretin (
CHEBI:4324
)
has role
antiviral agent (
CHEBI:22587
)
daphnoretin (
CHEBI:4324
)
has role
metabolite (
CHEBI:25212
)
daphnoretin (
CHEBI:4324
)
is a
aromatic ether (
CHEBI:35618
)
daphnoretin (
CHEBI:4324
)
is a
hydroxycoumarin (
CHEBI:37912
)
IUPAC Name
7-hydroxy-6-methoxy-3-[(2-oxo-2
H
-chromen-7-yl)oxy]-2
H
-chromen-2-one
Synonym
Source
Daphnoretin
KEGG COMPOUND
Manual Xrefs
Databases
C00002463
KNApSAcK
C09216
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1299325
Reaxys Registry Number
Reaxys
2034-69-7
CAS Registry Number
KEGG COMPOUND
2034-69-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19610034
PubMed citation
Europe PMC
22231496
PubMed citation
Europe PMC
22570931
PubMed citation
Europe PMC
23462531
PubMed citation
Europe PMC
7774678
PubMed citation
Europe PMC
8216237
PubMed citation
Europe PMC
IND44431214
Agricola citation
Europe PMC
Last Modified
28 July 2014