22-Hydroxyhalicyclamine A
AlkaPlorer ID: AK006712
Synonym: '(+)-22-Hydroxyhalicyclamine A'
IUPAC Name: (4E,6Z,14R,18R,19Z,21E,29S,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaen-18-ol
Structure
SMILES: O[C@@H]1/C=C\C=C\CCCCCC[C@@H]2CN3CC/C=C/C=C\CCCCC4=C[C@H](CN(C4)C1)[C@@H]2CC3
InChI: InChI=1S/C32H50N2O/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31/h3-4,7-8,11-12,15,19,23,29-32,35H,1-2,5-6,9-10,13-14,16-18,20-22,24-27H2/b4-3-,11-7+,12-8+,19-15-/t29-,30-,31-,32-/m1/s1
InChIKey: BAVFXEQEOXWMLY-MQCNICHISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 478.7650000000004
TPSA？: 26.71
MolLogP？: 6.686700000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|