Atkamine
AlkaPlorer ID: AK289693
Synonym: None
IUPAC Name: 18-bromo-23-icos-13-enyl-24-oxa-22-thia-4,9,13-triazaheptacyclo[12.9.1.13,7.02,12.015,23.016,21.010,25]pentacosa-2(12),3,7(25),8,10,16,18,20-octaene-11,19-diol
Structure
SMILES: CCCCCCC=CCCCCCCCCCCCCC12SC3=CC(O)=C(Br)C=C3C1C1NC3=C(C4=NCCC5=CNC(=C45)C3=O)C2O1
InChI: InChI=1S/C40H52BrN3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-40-33(27-23-28(41)29(45)24-30(27)48-40)39-44-36-32(38(40)47-39)34-31-26(20-22-42-34)25-43-35(31)37(36)46/h7-8,23-25,33,38-39,43-45H,2-6,9-22H2,1H3
InChIKey: UHZSCBVYVPTEHU-UHFFFAOYSA-N
Reference
COCONUT: CNP0120332.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 734.8449999999997
TPSA？: 86.71
MolLogP？: 10.442599999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|