1-[6-methoxy-20-methyl-7-({3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹³,¹?]icosa-2(10),4,6,8,16-pentaen-17-yl}methyl)-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹?.0?,?.0¹³,¹?]icosa-2(10),4,6,8,16-pentaen-17-yl]ethan-1-one
AlkaPlorer ID: AK003850
Synonym: None
IUPAC Name: 1-[6-methoxy-20-methyl-7-[(3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl)methyl]-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
Structure
SMILES: COC1=C(CC2=C(C)OCC3C2CC2C4=C(CC3N2C)C2=CC=CC=C2N4C)C=C2C3=C(NC2=C1)C1CC2C(C(C)=O)=COCC2C(C3)N1C
InChI: InChI=1S/C42H48N4O4/c1-21(47)31-18-49-19-32-27(31)13-38-41-29(15-36(32)44(38)3)28-12-23(40(48-6)17-34(28)43-41)11-25-22(2)50-20-33-26(25)14-39-42-30(16-37(33)45(39)4)24-9-7-8-10-35(24)46(42)5/h7-10,12,17-18,26-27,32-33,36-39,43H,11,13-16,19-20H2,1-6H3
InChIKey: SNEDGGDVMLQMHM-UHFFFAOYSA-N
Reference
Further alkaloids of Alstonia muelleriana
PubChem CID: 162948904
LOTUS: LTS0156141
COCONUT: CNP0219501
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia muelleriana | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.87
TPSA？: 71.96
MolLogP？: 6.785600000000008
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|