Compound Identification
SMILES
CCCCC1(C)C2=C(C=C(Br)C=C2)C2=C1C1=C(OC(C=C1)(C1=CC=C(F)C=C1)C1=CC=C(C=C1)N1CCOCC1)C1=C2C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=LZIFMDGKLNBRFA-UHFFFAOYSA-N
Formula
C42H36BrF4NO2
Mass
742.653
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flav-3-enes
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Flav-3-enes
Alternative Parents
Naphthopyrans Diphenylmethanes Fluorenes Phenylmorpholines 1-benzopyrans Naphthalenes Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Fluorobenzenes Pyrans Aryl bromides Aryl fluorides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Alkyl fluorides Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Naphthopyran - Diphenylmethane - Fluorene - Phenylmorpholine - Benzopyran - Naphthalene - 1-benzopyran - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Morpholine - Oxazinane - Tertiary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available