Callichiline
AlkaPlorer ID: AK042466
Synonym: '', 'Callichiline'
IUPAC Name: methyl (1R,1'S,4'R,6'R,10'S,12R,14'S,15'R,16S,17R,22R)-18'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,2'-9-oxa-13,16-diazaheptacyclo[11.9.2.01,15.04,15.06,10.06,14.017,22]tetracosa-17(22),18,20-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2C[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CCN6CC[C@]48C4=CC=CC(OC)=C4N[C@]58[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23
InChI: InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-24-20-37-13-18-50-30(37)10-15-45(35(37)42)17-12-41(27,42)39(21-24)23-46-16-11-40-26-6-3-4-8-28(26)43-32(40)25(33(47)49-2)22-38(34(40)46)14-19-51-36(38)39/h3-9,24,30,34-36,43-44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38-,39+,40-,41-,42-/m0/s1
InChIKey: AXSFWIGDSYMZQJ-JSVKVMEJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Callichilia subsessilis | Callichilia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 688.8690000000001
TPSA？: 84.53
MolLogP？: 4.818100000000004
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|