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ChEBI
> Main
CHEBI:140297 - 4'-
O
-demethylsordarin
Main
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ChEBI Name
4'-
O
-demethylsordarin
ChEBI ID
CHEBI:140297
ChEBI ASCII Name
4'-O-demethylsordarin
Definition
A tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-β-
D
-altropyranosyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C26H38O8
Net Charge
0
Average Mass
478.576
Monoisotopic Mass
478.25667
InChI
InChI=1S/C26H38O8/c1-
12(2)
18-
7-
15-
8-
24(10-
27)
17-
6-
5-
13(3)
16(17)
9-
25(15,26(18,24)
23(31)
32)
11-
33-
22-
21(30)
20(29)
19(28)
14(4)
34-
22/h7,10,12-
17,19-
22,28-
30H,5-
6,8-
9,11H2,1-
4H3,(H,31,32)
/t13-
,14-
,15+,16-
,17-
,19-
,20-
,21+,22-
,24+,25+,26+/m1/s1
InChIKey
YTWDSZAPPKUSFS-OIAXQXJYSA-N
SMILES
[C@@]
12([C@]
3([C@]
(C[C@@]
1([C@]
4([H]
)
CC[C@H]
([C@]
4(C3)
[H]
)
C)
C=O)
(C=C2C(C)
C)
[H]
)
CO[C@]
5([C@H]
([C@@H]
([C@@H]
([C@H]
(O5)
C)
O)
O)
O)
[H]
)
C(O)
=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4'-
O
-demethylsordarin (
CHEBI:140297
)
has role
fungal metabolite (
CHEBI:76946
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
3-oxo monocarboxylic acid (
CHEBI:47881
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
aldehyde (
CHEBI:17478
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
bridged compound (
CHEBI:35990
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
glycoside (
CHEBI:24400
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
monosaccharide derivative (
CHEBI:63367
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is a
tetracyclic diterpenoid (
CHEBI:52557
)
4'-
O
-demethylsordarin (
CHEBI:140297
)
is conjugate acid of
4'-
O
-demethylsordarin(1−) (
CHEBI:140233
)
Incoming
4'-
O
-demethylsordarin(1−) (
CHEBI:140233
)
is conjugate base of
4'-
O
-demethylsordarin (
CHEBI:140297
)
IUPAC Name
(1
R
,3a
R
,4
S
,4a
R
,7
R
,7a
R
,8a
S
)-
8a-
{[(6-
deoxy-
β-
D
-
altropyranosyl)oxy]methyl}-
4-
formyl-
7-
methyl-
3-
(propan-
2-
yl)-
4,4a,5,6,7,7a,8,8a-
octahydro-
1,4-
methano-
s
-
indacene-
3a(1
H
)-
carboxylic acid
Synonyms
Sources
4'-Demethylsordarin
KNApSAcK
4'-
O
-demethyl sordarin
ChEBI
Manual Xrefs
Databases
C00015132
KNApSAcK
CPD-20459
MetaCyc
View more database links
Registry Numbers
Types
Sources
178970-49-5
CAS Registry Number
KNApSAcK
25336129
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19249360
PubMed citation
Europe PMC
27072286
PubMed citation
Europe PMC
Last Modified
01 March 2018