Austrotaxine
AlkaPlorer ID: AK033882
Synonym: ''
IUPAC Name: [(1S,3R,5S,7S,8S,9R,13R,14R)-7,9,13,14-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-10-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3R)-2-acetyloxy-3-(dimethylamino)-3-phenylpropanoate
Structure
SMILES: C=C1[C@@H](OC(=O)[C@H](OC(C)=O)[C@@H](C2=CC=CC=C2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)=C(C(=O)[C@@H]2OC(C)=O)C1(C)C
InChI: InChI=1S/C41H53NO13/c1-20-28-18-29-36(52-24(5)45)35(51-23(4)44)21(2)32(40(29,8)9)34(48)38(54-26(7)47)41(28,10)31(50-22(3)43)19-30(20)55-39(49)37(53-25(6)46)33(42(11)12)27-16-14-13-15-17-27/h13-17,28-31,33,35-38H,1,18-19H2,2-12H3/t28-,29-,30+,31+,33-,35-,36-,37-,38+,41+/m1/s1
InChIKey: ANDFUFYTIKMZJO-WKQJMUKVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Austrotaxus spicata | Austrotaxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 767.8690000000001
TPSA？: 178.11
MolLogP？: 4.387300000000003
Number of H-Donors: 0
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|