Compound Identification
SMILES
O[C@@H]1[C@@H](O)C2=C(O[C@@H]1C1=CC=C(O)C=C1)C=C(O)C=C2
InChIKey
InChIKey=NTLUSUFJOUMRLA-RRFJBIMHSA-N
Formula
C15H14O5
Mass
274.272
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
- Level 5 Leucoanthocyanidins
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Subclass
Flavans
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Class
Flavonoids
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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
7-hydroxyflavonoids 4-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-diols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Leucoanthocyanidin-skeleton - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 4-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen 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
LIPIDMAPS (LMPK12020177) : Flavans, Flavanols and Leucoanthocyanidins