Tuberine
AlkaPlorer ID: AK026808
Synonym: 'Tuberine'
IUPAC Name: 2-[(2S,5S)-5-[(1S)-2-[4-(2-benzamidoethyl)phenoxy]-1-hydroxyethyl]-5-methyloxolan-2-yl]propan-2-yl acetate
Structure
SMILES: CC(=O)OC(C)(C)[C@@H]1CC[C@@](C)([C@@H](O)COC2=CC=C(CCN=C(O)C3=CC=CC=C3)C=C2)O1
InChI: InChI=1S/C27H35NO6/c1-19(29)33-26(2,3)24-14-16-27(4,34-24)23(30)18-32-22-12-10-20(11-13-22)15-17-28-25(31)21-8-6-5-7-9-21/h5-13,23-24,30H,14-18H2,1-4H3,(H,28,31)/t23-,24-,27-/m0/s1
InChIKey: GFABGVSRKCKLKA-DPZBCOQUSA-N
Reference
An alkaloid from Haplophyllum tuberculatum
PubChem CID: 162845188
LOTUS: LTS0041210
SuperNatural Ⅲ: SN0103950-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haplophyllum tuberculatum | Haplophyllum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.5780000000002
TPSA？: 97.58
MolLogP？: 4.253000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|