Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Br)C=C2)[C@H](O)[C@H]1O
InChIKey
InChIKey=ALNBBVCAIQVVKF-XHSDSOJGSA-N
Formula
C16H15BrO4
Mass
351.196
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
- Level 5 Leucoanthocyanidins
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Leucoanthocyanidins
Alternative Parents
3'-O-methylated flavonoids 4-hydroxyflavonoids 3-hydroxyflavonoids 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aryl bromides Secondary alcohols 1,2-diols Oxacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyflavonoid-skeleton - Leucoanthocyanidin-skeleton - 3-hydroxyflavonoid - 4-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - 1,2-diol - Secondary alcohol - Oxacycle - Ether - Organoheterocyclic compound - Organobromide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as leucoanthocyanidins. These are flavonoids consisting of a flavan (3,4-dihydro-2-phenyl-2H-1-benzopyran) moiety that carries two hydroxy groups at the C3- and C4-positions.
External Descriptors
Not available