Taxol; 10-Ketone, 10-de-Ac, 7-Ac
AlkaPlorer ID: AK315080
Synonym: 10-Deacetyl-10-dehydro-7-acetyltaxol A
IUPAC Name: [4,9-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1-hydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Structure
SMILES: CC(=O)OC1CC2OCC2(OC(C)=O)C2C(OC(=O)C3=CC=CC=C3)C3(O)CC(OC(=O)C(O)C(N=C(O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C(C(=O)C(=O)C12C)C3(C)C
InChI: InChI=1S/C47H49NO14/c1-25-31(60-43(56)37(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,39(53)36(51)34(25)44(47,4)5)32(59-26(2)49)22-33-46(38,24-58-33)62-27(3)50/h7-21,31-33,35,37-38,40,52,57H,22-24H2,1-6H3,(H,48,54)
InChIKey: GSTUMNHLDBUONL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus x media | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 851.9019999999999
TPSA？: 221.62
MolLogP？: 4.518700000000004
Number of H-Donors: 3
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|