Compound Identification
SMILES
CC(C)[C@@H]1C[C@]2(O)OC3=C(C[C@]2(O)C2=C(O)C=C(C)C=C12)C(C)=CC1=C(C=CC(C)=C31)C(C)C
InChIKey
InChIKey=LMJGACDAZUETDD-HDXYBINASA-N
Formula
C30H36O4
Mass
460.614
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavans
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavans
Alternative Parents
Xanthenes Naphthopyrans Tetralins Naphthalenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrans Tertiary alcohols Hemiacetals Polyols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavan - Dibenzopyran - Xanthene - Naphthopyran - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Tetralin - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyran - Tertiary alcohol - Hemiacetal - Organoheterocyclic compound - Oxacycle - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available