Melodinine H; N4'-Oxide
AlkaPlorer ID: AK305464
Synonym: Melodinine I
IUPAC Name: methyl 4-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-yl)-20-methyl-16-oxido-8-aza-16-azoniahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2(7),3,5,13-tetraene-10-carboxylate
Structure
SMILES: CCC12C=CCN3CCC4=C(C31)N(C1=CC=CC=C41)C(C1=CC=C3NC45C(C(=O)OC)CC6(C=CC[N+]7([O-])CCC4(C3=C1)C67)C5C)C2
InChI: InChI=1S/C40H44N4O3/c1-4-37-14-7-17-42-18-13-27-26-9-5-6-10-31(26)43(33(27)34(37)42)32(23-37)25-11-12-30-28(21-25)39-16-20-44(46)19-8-15-38(36(39)44)22-29(35(45)47-3)40(39,41-30)24(38)2/h5-12,14-15,21,24,29,32,34,36,41H,4,13,16-20,22-23H2,1-3H3
InChIKey: PZWIMIHBVUSBTP-UHFFFAOYSA-N
Reference
CAS: 1228757-22-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus tenuicaudatus | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 628.8170000000001
TPSA？: 69.56
MolLogP？: 6.387600000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|