Compound Identification
SMILES
COC1=CC2=C(C3C(OC(O)C3SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)O2)C2=C1C(=O)C1=C(OC)C=CC=C1O2
InChIKey
InChIKey=RMYLOOCNBGONLU-UHFFFAOYSA-N
Formula
C29H31N3O13S
Mass
661.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Sterigmatocystins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Sterigmatocystins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Sterigmatocystins
Alternative Parents
Peptides Xanthones N-acyl-alpha amino acids Chromones Alpha amino acids Coumarans Anisoles Alkyl aryl ethers Pyranones and derivatives Dicarboxylic acids and derivatives Vinylogous esters Tetrahydrofurans Heteroaromatic compounds Amino acids Hemiacetals Acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Dialkylthioethers Carboxylic acids Carbonyl compounds Organic oxides Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sterigmatocystin backbone - Alpha peptide - Xanthone - Xanthene - Dibenzopyran - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Chromone - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Dicarboxylic acid or derivatives - Pyran - Vinylogous ester - Heteroaromatic compound - Tetrahydrofuran - Amino acid - Amino acid or derivatives - Hemiacetal - Acetal - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Primary aliphatic amine - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sterigmatocystins. These are a group of closely related fungal metabolites chemically characterized by a xanthone moiety fused to a dihydrodifurano or a tetrahydrodifurano moiety. The chemical difference among the various sterigmagocystins are the presence or absence of unsaturation at positions 2 and 3 of the difurano ring system, the substitution pattern on positions 6, 7, and 10 of the xanthone system and/or the substituent on position 3 of the difurano system. They are produced by Aspergilus spp. and Bipolaris spp.
External Descriptors
Not available