Compound Identification
SMILES
COC1=CC(C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@H](C[C@]2(O)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C2=CC=CS2)C2=CC=CO2)OC(C)=O)=C(OC)C=C1
InChIKey
InChIKey=KBJVAMAPTOGVKJ-NYUQXHRYSA-N
Formula
C45H51NO17S
Mass
909.95
Taxonomic Classification
Taxonomy Tree
-
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
Diterpenoids
- Level 5 Taxanes and derivatives
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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
Not available
Direct Parent
Taxanes and derivatives
Alternative Parents
Tetracarboxylic acids and derivatives M-methoxybenzoic acids and derivatives O-methoxybenzoic acids and derivatives Beta amino acids and derivatives Dimethoxybenzenes Benzoic acid esters Anisoles Benzoyl derivatives 2-heteroaryl carboxamides Thiophene carboxamides Phenoxy compounds Alpha-acyloxy ketones Fatty acid esters Alkyl aryl ethers Monosaccharides Heteroaromatic compounds Tertiary alcohols Furans Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - O-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Beta amino acid or derivatives - Benzoate ester - Dimethoxybenzene - P-dimethoxybenzene - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Tertiary alcohol - Thiophene - Heteroaromatic compound - Furan - Cyclic alcohol - Oxetane - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.
External Descriptors
Not available