Compound Identification
SMILES
COC1=CC2=C(OC(=O)C3=C2OCC3O)C2=CC=CC=C12
InChIKey
InChIKey=UAQKGNIUQKHWLL-UHFFFAOYSA-N
Formula
C16H12O5
Mass
284.267
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Oxasteroids and derivatives
- Level 5 Tanshinlactones and derivatives
-
Subclass
Oxasteroids and derivatives
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Oxasteroids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tanshinlactones and derivatives
Alternative Parents
Naphthopyrans Angular furanocoumarins Naphthalenes 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinlactone skeleton - Angular furanocoumarin - Furanocoumarin - Naphthopyran - Coumarin - Benzopyran - Naphthalene - 1-benzopyran - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tanshinlactones and derivatives. These are oxasteroids with a structure containing an C-17 steroid skeleton, with two oxygen atoms replacing carbon atoms, and one C=O group. They all have one nitrogen atom at the 15-position. Some tanshinlactones have the second oxygen atom at the 11-position and a C=O group at the 12-position. Others have the second oxygen atom at the 12-position and a C=O group at the 11-position.
External Descriptors
Not available