Aphelandrine; (+)-form, 17,18-Diepimer, Me ether
AlkaPlorer ID: AK288935
Synonym: O-Methylorantine
IUPAC Name: 17-(4-methoxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
Structure
SMILES: COC1=CC=C(C2OC3=CC=C4C=C3C2C(=O)N2CCCCNCCCNC4CC(=O)NCCC2)C=C1
InChI: InChI=1S/C29H38N4O4/c1-36-22-9-6-20(7-10-22)28-27-23-18-21(8-11-25(23)37-28)24-19-26(34)32-15-5-17-33(29(27)35)16-3-2-12-30-13-4-14-31-24/h6-11,18,24,27-28,30-31H,2-5,12-17,19H2,1H3,(H,32,34)
InChIKey: INJJYAJWOISOND-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaenorhinum villosum | Chaenorhinum | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aphelandra sinclairiana | Aphelandra | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Chaenorhinum minus | Chaenorhinum | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 506.6470000000005
TPSA？: 91.93
MolLogP？: 3.055300000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|