Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C1(OC2=C(C=C1)C1=C(C3=C(C(Br)=CC(=C3)C3=CC=C(O)C=C3)C1(C)C)C1=C2C=C(C=C1)C(F)(F)F)C1=CC=C(F)C=C1
InChIKey
InChIKey=BEBSBARMISDNJB-UHFFFAOYSA-N
Formula
C45H35BrF4O3
Mass
779.67
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 Fluorenes Diphenylmethanes 1-benzopyrans Naphthalenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Pyrans Aryl fluorides Aryl bromides Oxacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Naphthopyran - Diphenylmethane - Fluorene - Benzopyran - Naphthalene - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Oxacycle - Ether - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organobromide - 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