Compound Identification
SMILES
CC1=COC2=C1C(=O)OC1=C2C=C(Cl)C2=CC=CC=C12
InChIKey
InChIKey=RPJKZHMOOZBGNB-UHFFFAOYSA-N
Formula
C16H9ClO3
Mass
284.7
Taxonomic Classification
Taxonomy Tree
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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 Furopyrans Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinlactone skeleton - Angular furanocoumarin - Furanocoumarin - Naphthopyran - Chloronaphthalene - Coumarin - Benzopyran - Naphthalene - 1-benzopyran - Furopyran - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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