Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CCC4C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]2(C)[C@H]1[C@H](C)N
InChIKey
InChIKey=HGEURJWODKLRBG-HATXYNKJSA-N
Formula
C35H52N2O5
Mass
580.81
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
Steroids and steroid derivatives
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Subclass
Steroidal alkaloids
- Level 5 Buxus alkaloids
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Subclass
Steroidal alkaloids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroidal alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Buxus alkaloids
Alternative Parents
Diterpenoids Gallic acid and derivatives p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Trialkylamines Amino acids and derivatives Carboxylic acid esters Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Abeo-9(10->19)-4,4-14(alpha)-trimethyl-5(alpha)-pregnane-skeleton - Abeoabietane diterpenoid - Diterpenoid - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Methoxybenzene - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as buxus alkaloids. These are alkaloids with a triterpenoid-steroid pregnane type structure with C-4 methyl groups, a 9beta,10beta-cycloartenol system, and a degraded C-20 side chain. Structurally, they are derivatives of either a 9beta,10beta-cyclo-4,4,14alpha-trimethyl-5alpha-pregnane or a 9(10->19)abeo 4,4,14alpha-trimethyl-5alpha-pregnane system.
External Descriptors
Not available