Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1CC(NN1C(N)=S)=C1C(=O)C(CN2CCOCC2)=C2OC=CC2=C1OC
InChIKey
InChIKey=YKXUVTDAHWIETI-UHFFFAOYSA-N
Formula
C27H32N4O7S
Mass
556.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Vinylogous amides Thiosemicarbazides Heteroaromatic compounds Furans Pyrazolidines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Anisole - O-quinomethane - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Furan - Heteroaromatic compound - Pyrazolidine - Thiosemicarbazide - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available