Taxanes
[11,16-diacetyloxy-2-benzoyloxy-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
Molecular Identity
Taxanes
[11,16-diacetyloxy-2-benzoyloxy-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
PubChem CID: 78384800
2D Structure
Properties
C38H44O12
Molecular Formula
692.70
Molecular Weight
g/mol
692.2833
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
175
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
1390
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OIsomeric SMILES
SMILES: CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OSynonyms(7)
Taxanes168206-79-9TT100TT101TT102TGA20679DEACETYLTAXCHININ I, 13-(SH)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Taxanes
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