Compound Identification
SMILES
CCC1=CC=CC2=C1C=CC1=C2OC(=O)C2=C1OCC2O
InChIKey
InChIKey=YPFNUUQSNOHVGL-UHFFFAOYSA-N
Formula
C17H14O4
Mass
282.295
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 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 - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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