Taxuspine P
AlkaPlorer ID: AK003018
Synonym: '(+)-Taxuspine P'
IUPAC Name: [(1R,2R,3R,5S,7S,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (3R)-3-(dimethylamino)-3-phenylpropanoate
Structure
SMILES: C=C1[C@@H](OC(=O)C[C@H](C2=CC=CC=C2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(O)C(C)=C(OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
InChI: InChI=1S/C41H55NO13/c1-21-31(55-34(48)19-30(42(11)12)28-16-14-13-15-17-28)20-33(51-24(4)44)40(10)35(21)36(52-25(5)45)29-18-32(50-23(3)43)22(2)41(49,39(29,8)9)38(54-27(7)47)37(40)53-26(6)46/h13-17,29-31,33,35-38,49H,1,18-20H2,2-12H3/t29-,30+,31-,33-,35-,36+,37-,38-,40+,41-/m0/s1
InChIKey: WKBGGGLQBJFAIE-TYSRQZBFSA-N
Reference
Three New Taxoids from the Seeds of Japanese Yew, <i>Taxus cuspidata</i>
PubChem CID: 5321757
LOTUS: LTS0061384
SuperNatural Ⅲ: SN0412420-04
NPASS: NPC263650
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus canadensis | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Taxus cuspidata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 769.8850000000001
TPSA？: 181.26999999999995
MolLogP？: 4.528300000000003
Number of H-Donors: 1
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|