Compound Identification
SMILES
COC1=CC=C(C=C1)C1=COC2=C(C=CC3=C2C=CC(C)(C)O3)C1=O
InChIKey
InChIKey=QLPJSBWLIFSIMS-UHFFFAOYSA-N
Formula
C21H18O4
Mass
334.371
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Pyranoisoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Pyranoisoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Pyranoisoflavonoids
Alternative Parents
4'-O-methylisoflavones Isoflavones Pyranochromenes 2,2-dimethyl-1-benzopyrans Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranoisoflavonoid - 4p-o-methylisoflavone - Isoflavone - Pyranochromene - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton.
External Descriptors
LIPIDMAPS (LMPK12050035) : Isoflavonoids