Compound Identification
SMILES
CCOOC(C)(C)C1=CC2=C(C=C1)C(C)=C([C@@H](O2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(OC(=O)C(C)(C)C)C=C1
InChIKey
InChIKey=VTIYBTPIWHLVHS-BHVANESWSA-N
Formula
C39H49NO6
Mass
627.822
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flav-3-enes
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Flav-3-enes
Alternative Parents
Isoflav-3-enes Stilbenes 1-benzopyrans Phenol esters Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines Dialkyl peroxides Carboxylic acid esters Amino acids and derivatives Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-ene skeleton - Isoflavonoid skeleton - Isoflavonoid - Flav-3-ene - Stilbene - Benzopyran - Phenol ester - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Dialkyl peroxide - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available