Compound Identification
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12.CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C
InChIKey
InChIKey=BVTCUUQNCZKNQE-OEJMEMKESA-N
Formula
C48H63NO10S
Mass
846.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Thiazolidinediones Delta valerolactones Fatty acid esters Dicarboxylic acids and derivatives Oxanes Dicarboximides Thiocarbamic acid derivatives Secondary alcohols Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Thiazolidinedione - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Benzenoid - Fatty acyl - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Secondary alcohol - Carboxylic acid ester - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available