Taxol; N-Debenzoyl, N-cinnamoyl
AlkaPlorer ID: AK315067
Synonym: N-Debenzoyl-N-cinnamoylpaclitaxel
IUPAC Name: [4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-(3-phenylprop-2-enoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Structure
SMILES: CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)C2=CC=CC=C2)C2(O)CC(OC(=O)C(O)C(N=C(O)C=CC3=CC=CC=C3)C3=CC=CC=C3)C(C)=C1C2(C)C
InChI: InChI=1S/C49H53NO14/c1-27-33(62-45(58)39(55)38(31-18-12-8-13-19-31)50-36(54)23-22-30-16-10-7-11-17-30)25-49(59)43(63-44(57)32-20-14-9-15-21-32)41-47(6,34(53)24-35-48(41,26-60-35)64-29(3)52)42(56)40(61-28(2)51)37(27)46(49,4)5/h7-23,33-35,38-41,43,53,55,59H,24-26H2,1-6H3,(H,50,54)
InChIKey: SESDEFPIFUOEIX-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: 879.9560000000001
TPSA？: 224.78
MolLogP？: 4.975600000000005
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|