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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4714 - dracorubin
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ChEBI Ontology
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ChEBI Name
dracorubin
ChEBI ID
CHEBI:4714
Definition
A proanthocyanidin isolated from
Dracaena draco
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C32H24O5
Net Charge
0
Average Mass
488.53000
Monoisotopic Mass
488.16237
InChI
InChI=1S/C32H24O5/c1-
18-
23(33)
16-
27-
29-
22(15-
25(35-
27)
20-
11-
7-
4-
8-
12-
20)
30-
28(37-
31(18)
29)
17-
26(34-
2)
21-
13-
14-
24(36-
32(21)
30)
19-
9-
5-
3-
6-
10-
19/h3-
12,15-
17,24H,13-
14H2,1-
2H3/t24-
/m0/s1
InChIKey
FWKBXSPDFCAHFN-DEOSSOPVSA-N
SMILES
COc1cc2oc3c(C)c(=O)cc4oc(cc(c2c2O[C@@H](CCc12)c1ccccc1)c34)-c1ccccc1
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):
astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via
tannin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dracorubin (
CHEBI:4714
)
has role
plant metabolite (
CHEBI:76924
)
dracorubin (
CHEBI:4714
)
is a
aromatic ether (
CHEBI:35618
)
dracorubin (
CHEBI:4714
)
is a
proanthocyanidin (
CHEBI:26267
)
IUPAC Name
(2
S
)-
5-
methoxy-
8-
methyl-
2,12-
diphenyl-
3,4-
dihydro-
2
H
,9
H
-
dipyrano[2,3-
a
:2',3',4'-
kl
]xanthen-
9-
one
Manual Xrefs
Databases
C00000955
KNApSAcK
C09726
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
6219-63-2
CAS Registry Number
ChemIDplus
68897
Reaxys Registry Number
Reaxys
Last Modified
12 June 2015