Quimbeline
AlkaPlorer ID: AK312136
Synonym: None
IUPAC Name: methyl 6-methoxyspiro[12,19-dioxa-8,23-diazaoctacyclo[14.9.1.01,13.02,7.08,13.011,14.016,20.023,26]hexacosa-2(7),3,5-triene-10,17'-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene]-10'-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4(CN5C6=C(OC)C=CC=C6C67CCN8CCC9OCCC9(CC9C4OC956)C87)C4OCCC4(C1)C23
InChI: InChI=1S/C43H48N4O6/c1-49-29-9-5-7-26-31(29)47-23-40(33-27-21-38-13-18-51-30(38)10-15-45-17-12-42(26,36(38)45)43(27,47)53-33)22-46-16-11-41-25-6-3-4-8-28(25)44-32(41)24(34(48)50-2)20-39(35(41)46)14-19-52-37(39)40/h3-9,27,30,33,35-37,44H,10-23H2,1-2H3
InChIKey: HWLZTOGIWCCNBD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga chalotiana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.879
TPSA？: 84.97000000000001
MolLogP？: 4.178800000000003
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 15
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|