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ChEBI
> Main
CHEBI:70427 - Buxalongifolamidine
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ChEBI Name
Buxalongifolamidine
ChEBI ID
CHEBI:70427
Definition
A natural product found in
Buxus natalensis
and
Buxus longifolia
.
Stars
This entity has been manually annotated by a third party.
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Formula
C35H50N2O5
Net Charge
0
Average Mass
578.78190
Monoisotopic Mass
578.37197
InChI
InChI=1S/C35H50N2O5/c1-
22(37(6)
7)
30-
27(42-
23(2)
39)
20-
34(5)
26-
13-
14-
28-
32(3,21-
38)
29(36-
31(40)
24-
11-
9-
8-
10-
12-
24)
16-
18-
35(28,41)
19-
25(26)
15-
17-
33(30,34)
4/h8-
12,15-
16,18,22,26-
30,38,41H,13-
14,17,19-
21H2,1-
7H3,(H,36,40)
/t22-
,26+,27+,28-
,29-
,30-
,32-
,33+,34-
,35-
/m0/s1
InChIKey
SQULXMOMDPJQNT-QCFSPYGNSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3([H]
)
[C@]
(C)
(CO)
[C@@H]
(NC(=O)
c4ccccc4)
C=C[C@]
3(O)
CC1=CC[C@]
1(C)
[C@@]
([H]
)
([C@H]
(C)
N(C)
C)
[C@@H]
(C[C@@]
21C)
OC(C)
=O
Metabolite of Species
Details
Buxus natalensis
(IPNI:128681-1)
Found in bark
(BTO:0001301)
. MeOH extract of pulverized bark See:
PubMed
Buxus longifolia
(IPNI:340298-1)
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.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Buxalongifolamidine (
CHEBI:70427
)
has role
metabolite (
CHEBI:25212
)
Buxalongifolamidine (
CHEBI:70427
)
is a
steroid alkaloid (
CHEBI:26767
)
Citation
Type
Source
20954721
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:benzamides(CHEBI:22702); ISA:benzoic acids(CHEBI:22723); ISA:carbonyl compound(CHEBI:36586); ISA:aralkylamine(CHEBI:18000); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:amino alcohol(CHEBI:22478); ISA:organic hydroxy compound(CHEBI:33822); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:carboxamide(CHEBI:37622); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734);