Compound Identification
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[C@]1(C)[C@@H]2[C@H](OCC2=CC=CC=C2)[C@]2(O)C[C@H](OC(=O)\C=C\C3=CC=C(C=C3)C(=O)C3=CC=CC=C3)C(C)=C([C@@H](OC(=O)OC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C1=O)C2(C)C
InChIKey
InChIKey=YKOFZJLJJLZMOH-YPTGDKOJSA-N
Formula
C85H76O15
Mass
1337.528
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
Triphenyl compounds Benzophenones Aryl-phenylketones Diphenylmethanes Cinnamic acid esters Benzyloxycarbonyls Benzylethers Benzoyl derivatives Styrenes Fatty acid esters Dicarboxylic acids and derivatives Carbonic acid diesters Enoate esters Tertiary alcohols Oxetanes Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Triphenyl compound - Benzophenone - Diphenylmethane - Aryl-phenylketone - Cinnamic acid or derivatives - Cinnamic acid ester - Benzyloxycarbonyl - Benzylether - Benzoyl - Styrene - Aryl ketone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxetane - Carboxylic acid ester - Carbonic acid derivative - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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