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:70425 - buxaminol A
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
buxaminol A
ChEBI ID
CHEBI:70425
Definition
A natural product found in
Buxus natalensis
.
Stars
This entity has been manually annotated by a third party.
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
C28H48N2O
Net Charge
0
Average Mass
428.69350
Monoisotopic Mass
428.37666
InChI
InChI=1S/C28H48N2O/c1-
18(29(6)
7)
25-
23(31)
17-
28(5)
22-
12-
11-
21-
19(16-
20(22)
14-
15-
27(25,28)
4)
10-
13-
24(30(8)
9)
26(21,2)
3/h14,16,18,21-
25,31H,10-
13,15,17H2,1-
9H3/t18-
,21+,22+,23+,24-
,25-
,27+,28-
/m0/s1
InChIKey
MALAIGCWTXNVKA-DVSVOVCNSA-N
SMILES
[H]
[C@@]
12CC[C@]
3([H]
)
C(=CC[C@]
4(C)
[C@]
([H]
)
([C@H]
(O)
C[C@@]
34C)
[C@H]
(C)
N(C)
C)
C=C1CC[C@H]
(N(C)
C)
C2(C)
C
Metabolite of Species
Details
Buxus natalensis
(IPNI:128681-1)
Found in bark
(BTO:0001301)
. MeOH extract of pulverized bark 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
buxaminol A (
CHEBI:70425
)
has role
metabolite (
CHEBI:25212
)
buxaminol A (
CHEBI:70425
)
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:primary aliphatic amine(CHEBI:17062); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822);