Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](CO)[C@@H](OC(=O)\C=C\C4=CC(OC)=C(O)C=C4)[C@H](O)[C@H]3O)[C@@H](OC(=O)\C=C\C3=CC(OC)=C(O)C=C3)[C@@H]2O)=C1
InChIKey
InChIKey=KIPKMNJEYYODAH-GPLAAAJXSA-N
Formula
C42H46O20
Mass
870.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters C-glycosyl compounds Disaccharides O-glycosyl compounds Methoxyphenols Tricarboxylic acids and derivatives Anisoles Styrenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Ketals Fatty acid esters Oxanes Enoate esters Oxolanes Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Alkyl aryl ether - Ketal - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Primary alcohol - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available