Compound Identification
SMILES
[O-][Cl](=O)(=O)=O.COC1=CC=C(C=CC2=C(C(C3=CC(=[O+]C4=CC=CC=C34)C3=CC=CC=C3)C3=C(O2)C=CC(OC)=C3)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=IOBUUJIGBRKXJZ-UHFFFAOYSA-M
Formula
C40H31ClO8
Mass
675.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 6-O-methylated isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
6-O-methylated isoflavonoids
Alternative Parents
Isoflav-2-enes Anthocyanidins 1-benzopyrans Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic perchlorates Organic perchlorate salts Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyisoflavonoid-skeleton - Anthocyanidin - Isoflav-2-ene skeleton - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Benzenoid - Organic perchlorate salt - Organic perchlorate - Monocyclic benzene moiety - Heteroaromatic compound - Organic chlorate - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C6 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available