Compound Identification
SMILES
OC1(C2CCCCCCCCCCC3OC4=C(C=CC(OCC5=NC(COC6=CC(O2)=C1C=C6)=CC=C5)=C4)C3(O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=BMDLBVFFVZNTJN-UHFFFAOYSA-N
Formula
C45H47NO6
Mass
697.872
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
-
Class
Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
1-phenylcoumarans
Intermediate Tree Nodes
Not available
Direct Parent
1-phenylcoumarans
Alternative Parents
Alkyl aryl ethers Pyridines and derivatives Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.
External Descriptors
Not available