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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:41921 - 1
H
-indene
Main
ChEBI Ontology
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ChEBI Name
1
H
-indene
ChEBI ID
CHEBI:41921
ChEBI ASCII Name
1H-indene
Definition
An
ortho
-fused bicyclic arene comprising of benzene and cyclopentene rings.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:41918, CHEBI:33051
Supplier Information
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Formula
C9H8
Net Charge
0
Average Mass
116.15982
Monoisotopic Mass
116.06260
InChI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKey
YBYIRNPNPLQARY-UHFFFAOYSA-N
SMILES
C1C=Cc2ccccc12
Roles Classification
Biological Role
(s):
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
(via
polycyclic arene
)
Application
(s):
endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via
polycyclic arene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1
H
-indene (
CHEBI:41921
)
is a
ortho
-fused bicyclic arene (
CHEBI:35426
)
1
H
-indene (
CHEBI:41921
)
is a
indene (
CHEBI:37910
)
Incoming
(3
S
)-tetrahydrofuran-3-yl (1
R
,2
S
)-3-[4-((1
R
)-2-{[(
S
)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1
H
-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate (
CHEBI:39981
)
has parent hydride
1
H
-indene (
CHEBI:41921
)
1
H
-inden-1-yl (
CHEBI:33053
)
has parent hydride
1
H
-indene (
CHEBI:41921
)
1
H
-inden-1-ylidene (
CHEBI:33052
)
has parent hydride
1
H
-indene (
CHEBI:41921
)
heptachlor (
CHEBI:34785
)
has parent hydride
1
H
-indene (
CHEBI:41921
)
IUPAC Name
1
H
-indene
Synonyms
Sources
Inden
ChemIDplus
indene
NIST Chemistry WebBook
INDENE
PDBeChem
indonaphthene
ChemIDplus
Manual Xrefs
Databases
DB02815
DrugBank
DEN
PDBeChem
Indene
Wikipedia
View more database links
Registry Numbers
Types
Sources
27265
Gmelin Registry Number
Gmelin
635873
Beilstein Registry Number
Beilstein
635873
Reaxys Registry Number
Reaxys
95-13-6
CAS Registry Number
NIST Chemistry WebBook
95-13-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24217495
PubMed citation
Europe PMC
24804069
PubMed citation
Europe PMC
Last Modified
14 May 2014