Compound Identification
SMILES
[H]OC1=C2C(=O)C3=C(C(=O)C2=C([H])C([H])=C1[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C(=O)C([H])=C2[H])C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@@]1(O[H])C(=O)C([H])([H])[C@@](O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C(=O)C([H])([H])C4([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[C@]1(O[H])C([H])=C3[H]
InChIKey
InChIKey=VWFXKMIXHGVTNY-LSGGDMHBSA-N
Formula
C43H50O16
Mass
822.857
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Angucyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Angucyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Angucyclines
Alternative Parents
Hydroxyanthraquinones Diterpenoids Naphthalenes Quinones O-quinomethanes M-quinomethanes Aryl ketones Dihydropyranones Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids Oxanes Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Acyloins Vinylogous acids Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angucycline core - Diterpenoid - Hydroxyanthraquinone - Anthraquinone - 9,10-anthraquinone - Naphthalene - Aryl ketone - Quinone - Quinomethane - O-quinomethane - M-quinomethane - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - Dihydropyranone - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Oxane - Beta-hydroxy ketone - Acyloin - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone.
External Descriptors
Not available