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:5724 - hippeastrine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
hippeastrine
ChEBI ID
CHEBI:5724
Definition
An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity.
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
C17H17NO5
Net Charge
0
Average Mass
315.32060
Monoisotopic Mass
315.11067
InChI
InChI=1S/C17H17NO5/c1-
18-
3-
2-
8-
4-
11(19)
16-
14(15(8)
18)
9-
5-
12-
13(22-
7-
21-
12)
6-
10(9)
17(20)
23-
16/h4-
6,11,14-
16,19H,2-
3,7H2,1H3/t11-
,14-
,15+,16+/m0/s1
InChIKey
DGQPIOQRPAGNGB-DANNLKNASA-N
SMILES
[H][C@]12OC(=O)c3cc4OCOc4cc3[C@@]1([H])[C@]1([H])N(C)CCC1=C[C@@H]2O
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
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hippeastrine (
CHEBI:5724
)
has role
antineoplastic agent (
CHEBI:35610
)
hippeastrine (
CHEBI:5724
)
has role
metabolite (
CHEBI:25212
)
hippeastrine (
CHEBI:5724
)
is a
δ-lactone (
CHEBI:18946
)
hippeastrine (
CHEBI:5724
)
is a
indole alkaloid (
CHEBI:38958
)
hippeastrine (
CHEBI:5724
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
hippeastrine (
CHEBI:5724
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(5
S
,5a
S
,12b
S
,12c
S
)-
5-
hydroxy-
1-
methyl-
2,3,5,5a,12b,12c-
hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-
g
]indol-
7(1
H
)-
one
Manual Xrefs
Databases
C00001572
KNApSAcK
C08528
KEGG COMPOUND
LSM-3588
LINCS
View more database links
Registry Numbers
Types
Sources
477-17-8
CAS Registry Number
ChemIDplus
51553
Reaxys Registry Number
Reaxys
Citation
Type
Source
8229020
PubMed citation
Europe PMC
Last Modified
25 February 2016