Compound Identification
SMILES
CC1(C)OC2=C(C=C1)C1=C(C=C2)[C@@H]2OC3=C(C=CC(O)=C3)[C@]2(O)CO1
InChIKey
InChIKey=YIFYYPKWOQSCRI-AZUAARDMSA-N
Formula
C20H18O5
Mass
338.359
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Furanoisoflavonoids
- Level 5 Pterocarpans
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Subclass
Furanoisoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Furanoisoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Pterocarpans
Alternative Parents
Isoflavanols Pyranochromenes 2,2-dimethyl-1-benzopyrans Coumarans Benzofurans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Pterocarpan - Isoflavan - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Coumaran - Benzofuran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.
External Descriptors
CHEBI:16470 :
organic heteropentacyclic compound
LIPIDMAPS (LMPK12070123) :
Pterocarpans
KEGG (C01701) :
pterocarpans - Pterocarpanes