Compound Identification
SMILES
COCCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(O3)C3=CC=CC=C3[N+]([O-])=O)C(=O)N2C1C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=BHADOBKMFQDQEE-UHFFFAOYSA-N
Formula
C31H29N3O7S
Mass
587.65
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
Aromatic monoterpenoids Cumenes Phenylpropanes Nitrobenzenes Nitroaromatic compounds Thiazoles Enoate esters Furans Heteroaromatic compounds Lactams Isothioureas Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Phenylpropane - Nitrobenzene - Cumene - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Furan - Azole - Thiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Organic nitro compound - Isothiourea - Lactam - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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