(E)-N-(3-{[4-(acetyloxy)-2-(benzoyloxy)-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹?.0?,?]heptadec-13-en-15-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)propanimidic acid
AlkaPlorer ID: AK006421
Synonym: None
IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Structure
SMILES: CCC(O)=NC(C1=CC=CC=C1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C
InChI: InChI=1S/C41H49NO13/c1-7-28(45)42-30(23-14-10-8-11-15-23)32(47)37(50)53-25-19-41(51)35(54-36(49)24-16-12-9-13-17-24)33-39(6,34(48)31(46)29(21(25)2)38(41,4)5)26(44)18-27-40(33,20-52-27)55-22(3)43/h8-17,25-27,30-33,35,44,46-47,51H,7,18-20H2,1-6H3,(H,42,45)/t25-,26-,27+,30?,31+,32+,33-,35-,39+,40-,41+/m0/s1
InChIKey: ZOIZSANARCWOGD-IHSDODFBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus baccata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 763.8370000000001
TPSA？: 218.71
MolLogP？: 3.101400000000001
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|