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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:67175 - cortistatin D
Main
ChEBI Ontology
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ChEBI Name
cortistatin D
ChEBI ID
CHEBI:67175
Definition
A member of the class of cortistatins that is cortistatin C in which the hydrogen at position 17 has been replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C30H34N2O5
Net Charge
0
Average Mass
502.60140
Monoisotopic Mass
502.24677
InChI
InChI=1S/C30H34N2O5/c1-
27-
8-
6-
19-
13-
21-
25(34)
26(35)
22(32(2)
3)
15-
28(21)
9-
10-
29(19,37-
28)
23(27)
14-
24(33)
30(27,36)
20-
5-
4-
17-
7-
11-
31-
16-
18(17)
12-
20/h4-
7,11-
13,16,22-
23,25-
26,34-
36H,8-
10,14-
15H2,1-
3H3/t22-
,23+,25+,26+,27-
,28+,29+,30+/m0/s1
InChIKey
VSVYWUPPYDXESC-OMXDIREYSA-N
SMILES
[H]
[C@@]
12CC(=O)
[C@]
(O)
(c3ccc4ccncc4c3)
[C@@]
1(C)
CC=C1C=C3[C@@H]
(O)
[C@H]
(O)
[C@H]
(C[C@]
33CC[C@]
21O3)
N(C)
C
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
angiogenesis modulating agent
An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
(via
cortistatins
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cortistatin D (
CHEBI:67175
)
has functional parent
cortistatin C (
CHEBI:67174
)
cortistatin D (
CHEBI:67175
)
is a
cortistatins (
CHEBI:67169
)
cortistatin D (
CHEBI:67175
)
is a
cyclic ketone (
CHEBI:3992
)
cortistatin D (
CHEBI:67175
)
is a
diol (
CHEBI:23824
)
cortistatin D (
CHEBI:67175
)
is a
secondary alcohol (
CHEBI:35681
)
cortistatin D (
CHEBI:67175
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
cortistatin D (
CHEBI:67175
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(1
R
,2
R
,3
S
,5
R
)-
3-
(dimethylamino)-
1,2,17α-
trihydroxy-
17β-
(isoquinolin-
7-
yl)-
5,8α-
epoxy-
9,19-
cyclo-
9,10-
secoandrosta-
9(11),10-
dien-
16-
one
Synonyms
Sources
(−)-cortistatin D
ChEBI
(1
R
,2
R
,3
S
,5
R
,8α,17α)-
3-
(dimethylamino)-
1,2,17-
trihydroxy-
17-
(isoquinolin-
7-
yl)-
5,8-
epoxy-
9,19-
cyclo-
9,10-
secoandrosta-
9(11),10-
dien-
16-
one
IUPAC
Registry Number
Type
Source
10504489
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16522087
PubMed citation
Europe PMC
17765550
PubMed citation
Europe PMC
Last Modified
07 February 2018