Compound Identification
SMILES
C[C@@H]1[C@@H](OC(=O)CCCCCCCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C2(O)C([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
InChIKey
InChIKey=XEBYKMZACZDPNP-JUVIYOJNSA-N
Formula
C44H62N2O9S
Mass
795.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
-
Level 5
Tigliane and ingenane diterpenoids
- Level 6 Phorbol esters
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Level 5
Tigliane and ingenane diterpenoids
-
Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Tigliane and ingenane diterpenoids
Direct Parent
Phorbol esters
Alternative Parents
1-naphthalene sulfonamides 1-naphthalene sulfonic acids and derivatives Dialkylarylamines Fatty acid esters Organosulfonamides Tertiary alcohols Aminosulfonyl compounds Amino acids and derivatives Ketones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phorbol ester - 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Fatty acyl - Benzenoid - Organosulfonic acid amide - Cyclic alcohol - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Amino acid or derivatives - Carboxylic acid ester - Cyclopropanol - Ketone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary alcohol - Carbonyl group - Organopnictogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phorbol esters. These are tigliane diterpenoids which are esters of phorbol.
External Descriptors
Not available