Compound Identification
SMILES
CCC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC(OC)=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(F)F
InChIKey
InChIKey=XTPBNGSYKJYAET-FAOBSCPNSA-N
Formula
C42H55F2NO16
Mass
867.89
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 Benzoic acid esters Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Monosaccharides Tertiary alcohols Carbamate esters Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxetanes Secondary alcohols Organic carbonic acids and derivatives Dialkyl ethers Oxacyclic compounds Organofluorides Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Carbamic acid ester - Tertiary alcohol - Cyclic alcohol - Carbonic acid derivative - Ketone - Carboxylic acid ester - Oxetane - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Organonitrogen compound - Organofluoride - 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