Compound Identification
SMILES
CC(=O)O[C@H]1[C@H](O)C2=C(C)[C@@H](O)C[C@]2([C@@H](OC(=O)C2=CC=CC=C2)C2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]12C)OC(C)=O)C(C)(C)O
InChIKey
InChIKey=MWFNZFYGIXGOPB-WZSFEZERSA-N
Formula
C31H40O11
Mass
588.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Tertiary alcohols Secondary alcohols Oxetanes Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
11(15->1)-abeotaxane diterpenoid - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Oxetane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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