Heliotropamide
AlkaPlorer ID: AK057714
Synonym: '(+)-Heliotropamide', 'Heliotropamide'
IUPAC Name: (2S,3S,4Z)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-N,1-bis[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
Structure
SMILES: COC1=CC(/C=C2\C(=O)N(CCC3=CC=C(O)C=C3)[C@H](C3=CC=C(O)C(OC)=C3)[C@H]2C(O)=NCCC2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C36H36N2O8/c1-45-31-20-24(7-13-29(31)41)19-28-33(35(43)37-17-15-22-3-9-26(39)10-4-22)34(25-8-14-30(42)32(21-25)46-2)38(36(28)44)18-16-23-5-11-27(40)12-6-23/h3-14,19-21,33-34,39-42H,15-18H2,1-2H3,(H,37,43)/b28-19-/t33-,34+/m0/s1
InChIKey: VNFIQMCRAYEPSY-FXJSISFJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 624.6900000000004
TPSA？: 152.28
MolLogP？: 5.551200000000006
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/np0302495 |
| Candida albicans | Candida albicans | Activity | None | None | 10.1021/np0302495 |
| Cladosporium cucumerinum | Cladosporium cucumerinum | Activity | None | None | 10.1021/np0302495 |
| Homo sapiens | Acetylcholinesterase | Activity | None | None | 10.1021/np0302495 |
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/np0302495 |