Taxane
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
Molecular Identity
Taxane
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
PubChem CID: 9548828
Taxane is a diterpene and a terpenoid fundamental parent.
2D Structure
Properties
C20H36
Molecular Formula
276.50
Molecular Weight
g/mol
276.2817
Exact Mass
Da
8.1
XLogP
Above Lipinski threshold
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
355
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCCC2(C1CC3CCC(C(C3(C)C)CC2)C)CIsomeric SMILES
SMILES: C[C@@H]1CCC[C@@]2([C@@H]1C[C@@H]3CC[C@H]([C@@H](C3(C)C)CC2)C)CSynonyms(16)
Taxane1605-68-1DTXSID70936327CHEBI:36064RefChem:187561DTXCID201436143Paclitaxel Impurity 24(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane(4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene(4R,4aR,6S,9R,10S,12aS)-4,9,12a,13,13-pentamethyltetradecahydro-6,10-methanobenzo[10]annulene(4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodeceneDKPFODGZWDEEBT-QFIAKTPHSA-NSCHEMBL3825Q271166886,10-Methanobenzocyclodecene, tetradecahydro-4,9,12a,13,13-pentamethyl-, (4R,4aR,6S,9R,10S,12aR)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Taxane
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