Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(C)=O)C2=C(C)[C@H](C[C@]1(O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CO1)OC(C)=O
InChIKey
InChIKey=MWSYKNKNMMTOJD-BGKJQISDSA-N
Formula
C44H55NO17
Mass
869.914
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 Furans Heteroaromatic compounds Secondary alcohols Oxetanes Carboxylic acid esters Cyclic alcohols and derivatives Organic carbonic acids and derivatives Ketones Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Taxane diterpenoid - Tetracarboxylic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - Benzoyl - Anisole - Alpha-acyloxy ketone - Alkyl aryl ether - Fatty acid ester - Monosaccharide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Carbamic acid ester - Cyclic alcohol - Tertiary alcohol - Ketone - Carboxylic acid ester - Oxetane - Carbonic acid derivative - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organonitrogen 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