Taxuspine Z
AlkaPlorer ID: AK000901
Synonym: None
IUPAC Name: [(1R,2R,3R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (3R)-3-(dimethylamino)-3-phenylpropanoate
Structure
SMILES: C=C1[C@@H](OC(=O)C[C@H](C2=CC=CC=C2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C
InChI: InChI=1S/C37H51NO9/c1-20-28(47-30(42)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(8)31(20)33(43)26-18-29(44-22(3)39)21(2)32(36(26,6)7)34(45-23(4)40)35(37)46-24(5)41/h11-15,26-29,31,33-35,43H,1,16-19H2,2-10H3/t26-,27+,28-,29-,31-,33+,34+,35-,37+/m0/s1
InChIKey: CKXBHBNBEFREKT-LTHGSNFJSA-N
Reference
Taxuspines X-Z, New Taxoids from Japanese Yew Taxus cuspidata.
PubChem CID: 10032249
LOTUS: LTS0029593
NPASS: NPC94602
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus cuspidata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 653.8130000000003
TPSA？: 128.67
MolLogP？: 5.095900000000007
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 106.0 | % | 10.1021/np030346y |