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=C(OC)C=C1)C(=C)[C@H]2O
InChIKey
InChIKey=KIKGQMVIVCMOLQ-RKNYZAKYSA-N
Formula
C30H39NO5
Mass
493.644
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 Benzoic acid esters Alkaloids and derivatives Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes 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 Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Napelline-type diterpenoid alkaloid - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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