ClassyFire

Compound Identification

SMILES

C[C@](O)(C#CC12CC3CC(CC(C3)C1)C2)C1=CC=CS1

InChIKey

InChIKey=SAYNBEKCBGXMLK-UUMMVJRDSA-N

Formula

C18H22OS

Mass

286.43

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level 5 Alpha,beta-unsaturated carbonyl compounds
        
        Level 6 Alpha,beta-unsaturated ketones
        
        Level 7 Ynones

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Ynones

Alternative Parents

Thiophenes Tertiary alcohols Heteroaromatic compounds Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ynone - Heteroaromatic compound - Thiophene - Tertiary alcohol - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic alcohol - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).

External Descriptors

Not available

Export to: