Compound Identification
SMILES
COC1=CC=C(COC2=C(C)C(C)=C3OC4(CCN(CC5=CC=CC=C5)CC4)C(C3=C2C)C2=CC=C(C=C2)C(C)C)C=C1
InChIKey
InChIKey=CKWJHBAWEJFWFL-UHFFFAOYSA-N
Formula
C39H45NO3
Mass
575.793
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
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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
N-benzylpiperidines Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Benzofurans Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Alkyl aryl ethers Aralkylamines Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - N-benzylpiperidine - Benzylpiperidine - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Benzofuran - Cumene - Phenylpropane - Anisole - Phenoxy compound - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organooxygen compound - 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