Compound Identification
SMILES
CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)NC2=CC=C(C=C2)N(C)C)C2=NC=C(NCC3=CC(=CC=C3)C(F)(F)F)C(=O)N12)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
InChIKey
InChIKey=YZIBHMRAVOPXRV-SFNUUTHGSA-N
Formula
C40H50BF3N6O5
Mass
762.68
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Bicyclic monoterpenoids
Alternative Parents
Trifluoromethylbenzenes Aromatic monoterpenoids Anilides Pyrrolopyrimidines Pyrimidinecarboxamides Benzylamines Dialkylarylamines N-arylamides Aniline and substituted anilines Phenylmethylamines Aralkylamines Secondary alkylarylamines Aminopyrimidines and derivatives Pyrimidones Fatty amides Dioxaborolanes Boronic acid esters Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Monoalkylboranes Alkyl fluorides Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Pinane monoterpenoid - Trifluoromethylbenzene - Pyrimidinecarboxamide - Pyrrolopyrimidine - Anilide - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Aralkylamine - Fatty amide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Fatty acyl - 1,3,2-dioxaborolane - Boronic acid ester - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Boronic acid derivative - Lactam - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organic metalloid salt - Secondary amine - Amine - Organohalogen compound - Organic metalloid moeity - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Monoalkylborane - Organic oxygen compound - Alkylborane - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available