Compound Identification
SMILES
COC1=CC(OC)=C([C@@H]2[C@@H](O)[C@H](OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(OCC6=CC=CC=C6)=CC(OCC6=CC=CC=C6)=C45)C4=CC(OCC5=CC=CC=C5)=C(OCC5=CC=CC=C5)C=C4)C(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C23)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)C2=C1C[C@@H](O)[C@H](O2)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=KPLHFEFZQRCVRN-GNIDJXFUSA-N
Formula
C105H94O18
Mass
1643.889
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
- Subclass Biflavonoids and polyflavonoids
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Biflavonoids and polyflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Biflavonoids and polyflavonoids
Alternative Parents
B-type proanthocyanidins C-type proanthocyanidins Catechins 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids 3-hydroxyflavonoids 1-benzopyrans Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-type proanthocyanidin - B-type proanthocyanidin - Bi- and polyflavonoid skeleton - Proanthocyanidin - Catechin - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Chromane - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.
External Descriptors
Not available