Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(CC2)C2=C(C(=CO2)C(O)=O)C(=O)O1
InChIKey
InChIKey=FRNWWKCJYNQMPW-UHFFFAOYSA-N
Formula
C17H12O6
Mass
312.277
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 Furoic acids Furan-3-carboxylic acids Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinlactone skeleton - Naphthopyran - Naphthalene - Furopyran - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Anisole - Furoic acid - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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