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ChEBI
> Main
CHEBI:66686 - maytenfolone A
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ChEBI Name
maytenfolone A
ChEBI ID
CHEBI:66686
Definition
A hexacyclic triterpenoid that is a lactone of friedelin. Isolated from
Celastrus hindsii
, it exhibits anti-HIV and antineoplastic activities.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H46O4
Net Charge
0
Average Mass
470.68380
Monoisotopic Mass
470.33961
InChI
InChI=1S/C30H46O4/c1-
18-
19(31)
7-
8-
20-
26(18,3)
10-
9-
21-
27(20,4)
12-
13-
28(5)
22-
15-
25(2)
11-
14-
30(22,17-
34-
24(25)
33)
23(32)
16-
29(21,28)
6/h18,20-
23,32H,7-
17H2,1-
6H3/t18-
,20+,21-
,22-
,23+,25-
,26+,27-
,28-
,29+,30+/m0/s1
InChIKey
BVZOXPCXYRGXKC-RUXXHOCVSA-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]
)
C[C@]
4(C)
CC[C@]
3(COC4=O)
[C@H]
(O)
C[C@]
12C
Metabolite of Species
Details
Celastrus hindsii
(NCBI:txid489979)
Found in stem
(BTO:0001300)
. See:
PubMed
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.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
maytenfolone A (
CHEBI:66686
)
has functional parent
friedelin (
CHEBI:5171
)
maytenfolone A (
CHEBI:66686
)
has role
anti-HIV agent (
CHEBI:64946
)
maytenfolone A (
CHEBI:66686
)
has role
antineoplastic agent (
CHEBI:35610
)
maytenfolone A (
CHEBI:66686
)
has role
metabolite (
CHEBI:25212
)
maytenfolone A (
CHEBI:66686
)
is a
bridged compound (
CHEBI:35990
)
maytenfolone A (
CHEBI:66686
)
is a
cyclic terpene ketone (
CHEBI:36130
)
maytenfolone A (
CHEBI:66686
)
is a
hexacyclic triterpenoid (
CHEBI:70994
)
maytenfolone A (
CHEBI:66686
)
is a
secondary alcohol (
CHEBI:35681
)
maytenfolone A (
CHEBI:66686
)
is a
terpene lactone (
CHEBI:37668
)
IUPAC Name
(2
S
,5a
S
,6
R
,7a
R
,7b
S
,9a
S
,10
R
,13a
S
,13b
S
,15a
S
,15b
S
)-
6-
hydroxy-
2,7a,9a,10,13b,15a-
hexamethyloctadecahydro-
2,5a-
ethanochryseno[2,1-
c
]oxepine-
3,11(5
H
)-
dione
Registry Number
Type
Source
7666520
Reaxys Registry Number
Reaxys
Citation
Type
Source
9115698
PubMed citation
Europe PMC
Last Modified
05 April 2013