Compound Identification
SMILES
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](NC(=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)C1=CC=CC=C1
InChIKey
InChIKey=BKPHHNLCHYTPPZ-DXUJPXLTSA-N
Formula
C45H55ClN2O14
Mass
883.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
3-halobenzoic acids and derivatives Tricarboxylic acids and derivatives Benzamides Benzoyl derivatives Alpha-acyloxy ketones Chlorobenzenes Fatty acid esters Aryl chlorides Monosaccharides Tertiary alcohols Carbamate esters Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Ketones Organic carbonic acids and derivatives Dialkyl ethers Oxacyclic compounds Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Tricarboxylic 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 - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Oxetane - Ketone - Carbonic acid derivative - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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