Icaceine; N-De-Me
AlkaPlorer ID: AK302267
Synonym: De-N-methylicaceine
IUPAC Name: 16-hydroxy-1,5,15-trimethyl-6-(methylamino)-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one
Structure
SMILES: CNC1COC2C3=CC4OC(=O)C5(C)C(O)CCC(C)(C3CCC12C)C45
InChI: InChI=1S/C21H31NO4/c1-19-8-6-15(23)21(3)16(19)13(26-18(21)24)9-11-12(19)5-7-20(2)14(22-4)10-25-17(11)20/h9,12-17,22-23H,5-8,10H2,1-4H3
InChIKey: ZFYJZNYQGKBHJQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Icacina | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.48200000000014
TPSA？: 67.79
MolLogP？: 2.0384
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|