Compound Identification
SMILES
COC1=CC=CC=C1[C@]1(CC[NH2+]CC2=CC3=C(OCO3)C=C2)CCO[C@H](C1)C(C)C
InChIKey
InChIKey=NMPJHGCISZRRPQ-JWQCQUIFSA-O
Formula
C25H34NO4
Mass
412.549
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Oxanes Oxacyclic compounds Dialkylamines Dialkyl ethers Acetals Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxane - Oxacycle - Acetal - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available