Compound Identification
SMILES
[H]OC([H])([H])OC([H])([H])C([H])([H])C1=C(C2=C([H])C([H])=C3OC4(C([H])([H])[H])C([H])([H])C#CC([H])([H])C5=C([H])C([H])=C([H])C(=C5[H])C([H])([H])C([H])([H])C(=C(C([H])([H])[H])C([H])([H])[H])C(=O)OC4([H])C([H])(OC(=O)C([H])([H])[H])C3=C2OC1=O)C([H])([H])O[H]
InChIKey
InChIKey=LCNHAUIUNWUOAE-UHFFFAOYSA-N
Formula
C36H38O10
Mass
630.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
-
Subclass
Pyranocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Pyranochromenes Macrolides and analogues Pyranones and derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - Macrolide - 1-benzopyran - Benzopyran - Chromane - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available