Tubacetine
AlkaPlorer ID: AK190436
Synonym: ''
IUPAC Name: [(3R)-4-acetyloxy-1-[(2S,3S)-3-[[4-(2-benzamidoethyl)phenoxy]methyl]-2-methyloxiran-2-yl]-4-methylpentan-3-yl] acetate
Structure
SMILES: CC(=O)O[C@H](CC[C@]1(C)O[C@H]1COC1=CC=C(CCN=C(O)C2=CC=CC=C2)C=C1)C(C)(C)OC(C)=O
InChI: InChI=1S/C29H37NO7/c1-20(31)35-25(28(3,4)36-21(2)32)15-17-29(5)26(37-29)19-34-24-13-11-22(12-14-24)16-18-30-27(33)23-9-7-6-8-10-23/h6-14,25-26H,15-19H2,1-5H3,(H,30,33)/t25-,26+,29+/m1/s1
InChIKey: NOVLFFMRABKFQF-ALTZYDRJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum tuberculatum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 511.6150000000003
TPSA？: 106.95000000000002
MolLogP？: 4.823800000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|