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:48562 - rauwolscine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
rauwolscine
ChEBI ID
CHEBI:48562
Stars
This entity has been manually annotated by the ChEBI Team.
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
C21H26N2O3
Net Charge
0
Average Mass
354.44282
Monoisotopic Mass
354.19434
InChI
InChI=1S/C21H26N2O3/c1-
26-
21(25)
19-
15-
10-
17-
20-
14(13-
4-
2-
3-
5-
16(13)
22-
20)
8-
9-
23(17)
11-
12(15)
6-
7-
18(19)
24/h2-
5,12,15,17-
19,22,24H,6-
11H2,1H3/t12-
,15+,17+,18+,19+/m1/s1
InChIKey
BLGXFZZNTVWLAY-DIRVCLHFSA-N
SMILES
[H][C@]12CC[C@H](O)[C@@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2
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
rauwolscine (
CHEBI:48562
)
is a
methyl 17-hydroxy-20ξ-yohimban-16-carboxylate (
CHEBI:48565
)
IUPAC Name
methyl 17α-hydroxy-20α-yohimban-16β-carboxylate
Synonyms
Sources
17α-hydroxy-20α-yohimban-16β-carboxylic acid methyl ester
ChemIDplus
α-yohimbine
ChemIDplus
corynanthidine
IUPHAR
isoyohimbine
IUPHAR
mesoyohimbine
IUPHAR
methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate
ChemIDplus
rauwolscine
IUPHAR
Manual Xref
Database
LSM-15381
LINCS
View more database links
Registry Numbers
Types
Sources
131-03-3
CAS Registry Number
ChemIDplus
97277
Beilstein Registry Number
Beilstein
Last Modified
25 February 2016