Compound Identification
SMILES
OC1COC2=C1C(=O)OC1=C2C=C(Cl)C2=CC=CC=C12
InChIKey
InChIKey=RZKUIEYQDDSFGW-UHFFFAOYSA-N
Formula
C15H9ClO4
Mass
288.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Oxasteroids and derivatives
- Level 5 Tanshinlactones and derivatives
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Subclass
Oxasteroids and derivatives
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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 Chloronaphthalenes 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Vinylogous esters Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinlactone skeleton - Angular furanocoumarin - Furanocoumarin - Naphthopyran - Chloronaphthalene - Coumarin - Benzopyran - 1-benzopyran - Naphthalene - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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