Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=CC2=C1C=CC1=C2OC(=O)C2=C1OCC2O

InChIKey

InChIKey=YPFNUUQSNOHVGL-UHFFFAOYSA-N

Formula

C17H14O4

Mass

282.295

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Taxonomic Classification

Taxonomy Tree

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

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

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