Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:65991 - guttiferone F
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
guttiferone F
ChEBI ID
CHEBI:65991
Definition
A member of the class of benzophenones isolated from the stem bark of
Allanblackia stuhlmannii
and has been shown to exhibit antileishmanial and anticholinesterase activity.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C38H50O6
Net Charge
0
Average Mass
602.80000
Monoisotopic Mass
602.36074
InChI
InChI=1S/C38H50O6/c1-
22(2)
11-
13-
27(25(7)
8)
20-
37-
21-
28(15-
12-
23(3)
4)
36(9,10)
38(35(37)
44,18-
17-
24(5)
6)
34(43)
31(33(37)
42)
32(41)
26-
14-
16-
29(39)
30(40)
19-
26/h11-
12,14,16-
17,19,27-
28,39-
40,42H,7,13,15,18,20-
21H2,1-
6,8-
10H3/t27-
,28-
,37-
,38+/m1/s1
InChIKey
QDKLRKZQSOQWJQ-LPEHXNHASA-N
SMILES
CC(C)
=CC[C@H]
(C[C@@]
12C[C@@H]
(CC=C(C)
C)
C(C)
(C)
[C@@]
(CC=C(C)
C)
(C(=O)
C(C(=O)
c3ccc(O)
c(O)
c3)
=C1O)
C2=O)
C(C)
=C
Metabolite of Species
Details
Allanblackia stuhlmannii
(IPNI:427050-1)
Found in xylem
(BTO:0001468)
. Previous component: root wood; See:
PubMed
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.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus
Leishmania
.
EC 3.1.1.8 (cholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
Application
(s):
antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus
Leishmania
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
guttiferone F (
CHEBI:65991
)
has role
antileishmanial agent (
CHEBI:70868
)
guttiferone F (
CHEBI:65991
)
has role
apoptosis inducer (
CHEBI:68495
)
guttiferone F (
CHEBI:65991
)
has role
EC 3.1.1.8 (cholinesterase) inhibitor (
CHEBI:37733
)
guttiferone F (
CHEBI:65991
)
has role
metabolite (
CHEBI:25212
)
guttiferone F (
CHEBI:65991
)
is a
benzophenones (
CHEBI:22726
)
guttiferone F (
CHEBI:65991
)
is a
bridged compound (
CHEBI:35990
)
guttiferone F (
CHEBI:65991
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
(1
R
,5
R
,7
R
)-
3-
(3,4-
dihydroxybenzoyl)-
4-
hydroxy-
8,8-
dimethyl-
1,7-
bis(3-
methylbut-
2-
en-
1-
yl)-
5-
[(2
R
)-
5-
methyl-
2-
(prop-
1-
en-
2-
yl)hex-
4-
en-
1-
yl]bicyclo[3.3.1]non-
3-
ene-
2,9-
dione
Manual Xref
Database
10282668
ChemSpider
View more database links
Registry Number
Type
Source
4731414
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17960072
PubMed citation
Europe PMC
18322848
PubMed citation
Europe PMC
20681570
PubMed citation
Europe PMC
9917299
PubMed citation
Europe PMC
Last Modified
18 February 2013