Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(CC2)C2=C(C(=CO2)C(Cl)=O)C(=O)O1
InChIKey
InChIKey=NTFOMUNPXORCDL-UHFFFAOYSA-N
Formula
C17H11ClO5
Mass
330.72
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Naphthalenes Furopyrans Furan-3-carboxylic acid and derivatives Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinlactone skeleton - Naphthopyran - Naphthalene - Furopyran - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Acyl chloride - Acyl halide - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organochloride - Organohalogen 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