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> Main
CHEBI:65605 - celasdin B
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ChEBI Name
celasdin B
ChEBI ID
CHEBI:65605
Definition
A pentacyclic triterpenoid that is friedelin substituted by hydroxy groups at positions 16 and 28. It is isolated from the stems of
Celastrus hindsii
and exhibits anti-HIV activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H50O3
Net Charge
0
Average Mass
458.71620
Monoisotopic Mass
458.37600
InChI
InChI=1S/C30H50O3/c1-
19-
20(32)
8-
9-
21-
26(19,4)
11-
10-
22-
27(21,5)
13-
14-
28(6)
23-
16-
25(2,3)
12-
15-
30(23,18-
31)
24(33)
17-
29(22,28)
7/h19,21-
24,31,33H,8-
18H2,1-
7H3/t19-
,21+,22-
,23-
,24+,26+,27-
,28-
,29+,30+/m0/s1
InChIKey
ZGPGTQGECMDFNI-OJEITCFUSA-N
SMILES
[H]
[C@@]
12CCC(=O)
[C@H]
(C)
[C@@]
1(C)
CC[C@@]
1([H]
)
[C@@]
2(C)
CC[C@@]
2(C)
[C@]
3([H]
)
CC(C)
(C)
CC[C@]
3(CO)
[C@H]
(O)
C[C@]
12C
Metabolite of Species
Details
Celastrus hindsii
(NCBI:txid489979)
Found in stem
(BTO:0001300)
. See:
DOI
Roles Classification
Biological Role
(s):
anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
celasdin B (
CHEBI:65605
)
has role
anti-HIV agent (
CHEBI:64946
)
celasdin B (
CHEBI:65605
)
has role
metabolite (
CHEBI:25212
)
celasdin B (
CHEBI:65605
)
is a
cyclic terpene ketone (
CHEBI:36130
)
celasdin B (
CHEBI:65605
)
is a
diol (
CHEBI:23824
)
celasdin B (
CHEBI:65605
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
celasdin B (
CHEBI:65605
)
is a
primary alcohol (
CHEBI:15734
)
celasdin B (
CHEBI:65605
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(4
R
,4a
S
,6a
S
,6b
R
,8
R
,8a
S
,12a
S
,12b
S
,14a
S
,14b
S
)-
8-
hydroxy-
8a-
(hydroxymethyl)-
4,4a,6b,11,11,12b,14a-
heptamethylicosahydropicen-
3(2
H
)-
one
Registry Number
Type
Source
7660622
Reaxys Registry Number
Reaxys
Citations
Types
Sources
9115698
PubMed citation
Europe PMC
9525100
PubMed citation
Europe PMC
Last Modified
10 December 2012