Compound Identification
SMILES
[H][C@@]12C[C@@]3([H])[C@@]4([C@]5([H])C[C@]6([H])CC[C@]15[C@]([H])(O)[C@]6(O)COC(=O)C1=CC(OC)=C(OC)C=C1)[C@]2([H])N(CC)C[C@]3(C)CC[C@]4([H])O
InChIKey
InChIKey=UDPBCPHMMKEEBT-ORCOCMDLSA-N
Formula
C31H43NO7
Mass
541.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Danudatine-type diterpenoid alkaloids
Alternative Parents
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Alkaloids and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Azepanes Piperidines Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Trialkylamines Amino acids and derivatives Polyols Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Danudatine-type diterpenoid alkaloid - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Alkaloid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Azepane - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Tertiary alcohol - Cyclic alcohol - Tertiary amine - Amino acid or derivatives - Secondary alcohol - Tertiary aliphatic amine - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as danudatine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the danudatine skeleton, which is a hexacyclic compound with an additional C-20-C7 bond in the atisine skeleton.
External Descriptors
Not available