Compound Identification
SMILES
O[C@@H]1[C@H]([C@H](OC2=C1C=CC(O)=C2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(O)C=C1
InChIKey
InChIKey=FKPQJDFSZNBBPP-OZNIXHKMSA-N
Formula
C28H31NO5
Mass
461.558
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavan-4-ols
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavan-4-ols
Alternative Parents
4-hydroxyflavonoids 7-hydroxyflavonoids Hydroxyisoflavonoids Isoflavans Stilbenes 1-benzopyrans Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines Trialkylamines Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyisoflavonoid - Flavan-4-ol - Hydroxyflavonoid - Isoflavonoid skeleton - Isoflavonoid - Isoflavan - Stilbene - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.
External Descriptors
Not available