Compound Identification
SMILES
CCC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC(Cl)=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C=C(C)C
InChIKey
InChIKey=MCVXUNGFPRKSBG-SACIWCPGSA-N
Formula
C44H58ClNO15
Mass
876.39
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 3-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Alpha-acyloxy ketones Chlorobenzenes Fatty acid esters Aryl chlorides Monosaccharides Tertiary alcohols Carbamate esters Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Organic carbonic acids and derivatives Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Alpha-acyloxy ketone - Monosaccharide - Aryl chloride - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Cyclic alcohol - Carbamic acid ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Oxetane - Ketone - Carbonic acid derivative - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organoheterocyclic compound - Organochloride - Alcohol - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen 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