Compound Identification
SMILES
CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]2CC(C13)[C@@]12C[C@H]([C@H](C[C@@H]41)OC(=O)C1=CC(OC)=C(OC)C=C1)C(=C)[C@H]2O
InChIKey
InChIKey=RJEGCVHXZOWUHT-XVWBDHCUSA-N
Formula
C31H41NO6
Mass
523.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Kaurane diterpenoids
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Subclass
Diterpenoids
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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
Kaurane diterpenoids
Direct Parent
Napelline-type diterpenoid alkaloids
Alternative Parents
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Alkaloids and derivatives Anisoles Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Azepanes Piperidines Cyclic alcohols and derivatives Carboxylic acid esters Trialkylamines Secondary alcohols Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Napelline-type diterpenoid alkaloid - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Alkaloid or derivatives - Benzoic acid or derivatives - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Azepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Cyclic alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as napelline-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the napelline skeleton, which is a hexacyclic compound, with an additional C-20-C-7 bond in the kaurane-type.
External Descriptors
Not available