Taxuspinanane I
AlkaPlorer ID: AK006882
Synonym: '(-)-Taxuspinanane I'
IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-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)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C4=CC=CC=C4)N(C)C(=O)C4=CC=CC=C4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
InChI: InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1
InChIKey: UATZAEJDBCHOCI-JBTWBBNCSA-N
Reference
Taxoids from Taxus cuspidata var. nana
PubChem CID: 10102134
LOTUS: LTS0026653
NPASS: NPC295149
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra terminalis | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Taxus cuspidata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 867.9449999999999
TPSA？: 212.5
MolLogP？: 4.077900000000004
Number of H-Donors: 3
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|