Foetidine I; (S)-form
AlkaPlorer ID: AK298483
Synonym: None
IUPAC Name: None
Structure
SMILES: CCC(O)(C(=O)OC1=CC=C(/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/C2=CC=C(O)C=C2)C=C1)C1=C(COC(C)=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1
InChI: InChI=1S/C47H49N5O9/c1-3-47(59,39-28-41-44-35(27-34-9-4-5-10-40(34)51-44)29-52(41)45(57)38(39)30-60-31(2)53)46(58)61-37-19-13-33(14-20-37)16-22-43(56)50-26-8-24-48-23-6-7-25-49-42(55)21-15-32-11-17-36(54)18-12-32/h4-5,9-22,27-28,48,54,59H,3,6-8,23-26,29-30H2,1-2H3,(H,49,55)(H,50,56)/b21-15+,22-16+
InChIKey: BWFNZIXETJNOGM-YHARCJFQSA-N
Reference
CAS: 163167-81-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mappia foetida | Mappia | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 827.9349999999998
TPSA？: 198.17999999999995
MolLogP？: 5.116000000000004
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|