CHEBI:28668 - 1,2-epoxy-1,2-dihydrophenanthrene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-epoxy-1,2-dihydrophenanthrene
ChEBI ID CHEBI:28668
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8052, CHEBI:25952
Supplier Information
Download Molfile XML SDF
Formula C14H10O
Net Charge 0
Average Mass 194.22860
Monoisotopic Mass 194.07316
InChI InChI=1S/C14H10O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-13/h1-8,13-14H
InChIKey ALTXUIJFJAHUPS-UHFFFAOYSA-N
SMILES O1C2C=Cc3c(ccc4ccccc34)C12
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 1,2-epoxy-1,2-dihydrophenanthrene (CHEBI:28668) is a phenanthrene oxide (CHEBI:25959)
Incoming (1R,2S)-1,2-epoxy-1,2-dihydrophenanthrene (CHEBI:37095) is a 1,2-epoxy-1,2-dihydrophenanthrene (CHEBI:28668)
(1S,2R)-1,2-epoxy-1,2-dihydrophenanthrene (CHEBI:37094) is a 1,2-epoxy-1,2-dihydrophenanthrene (CHEBI:28668)
IUPAC Name
1a,9a-dihydrophenanthro[1,2-b]oxirene
Synonyms Sources
1,2-epoxy-1,2-dihydro-phenanthrene UM-BBD
1a,9a-dihydro-1-oxa-cyclopropaphenanthrene UM-BBD
phenanthrene 1,2-oxide ChEBI
Phenanthrene-1,2-oxide KEGG COMPOUND
Manual Xrefs Databases
c0449 UM-BBD
C11431 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1344519 Beilstein Registry Number Beilstein
39834-44-1 CAS Registry Number ChemIDplus
66226-25-3 CAS Registry Number KEGG COMPOUND
Last Modified
20 November 2006