Compound Identification
SMILES
COC1=C(CC=C(C)C)C2=C(C=C1)[C@]1(O)COC3=C(C=C4C=CC(C)(C)OC4=C3)[C@@H]1O2
InChIKey
InChIKey=KSXMILLEKYOTIP-AZGAKELHSA-N
Formula
C26H28O5
Mass
420.505
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Furanoisoflavonoids
- Level 5 Pterocarpans
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Subclass
Furanoisoflavonoids
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Class
Isoflavonoids
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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 Anisoles Alkyl aryl ethers 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 - Anisole - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Alcohol - 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
Not available