Taxuspine N
AlkaPlorer ID: AK006278
Synonym: ''
IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-2,4,9,11-tetraacetyloxy-15-[3-(dimethylamino)-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] benzoate
Structure
SMILES: CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(O)C[C@H](OC(=O)CC(C4=CC=CC=C4)N(C)C)C(C)=C([C@@H](OC(=O)C4=CC=CC=C4)[C@@H](OC(C)=O)[C@]12C)C3(C)C
InChI: InChI=1S/C46H57NO14/c1-25-33(59-36(52)21-32(47(9)10)30-17-13-11-14-18-30)23-46(54)41(58-28(4)50)39-44(8,34(56-26(2)48)22-35-45(39,24-55-35)61-29(5)51)40(57-27(3)49)38(37(25)43(46,6)7)60-42(53)31-19-15-12-16-20-31/h11-20,32-35,38-41,54H,21-24H2,1-10H3/t32?,33-,34-,35+,38+,39-,40+,41-,44+,45-,46+/m0/s1
InChIKey: QSFNPGPZKAEJTK-GIVPQAIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus cuspidata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 847.9549999999999
TPSA？: 190.5
MolLogP？: 4.829900000000005
Number of H-Donors: 1
Number of H-Acceptors: 15
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|