Haliclonacyclamine F
AlkaPlorer ID: AK082721
Synonym: None
IUPAC Name: (4Z,12R,14R,19Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,22-triene
Structure
SMILES: C1=C\CCCCC[C@H]2C[N@]3CC/C=C\CCCCCC[C@@H]4C[C@@H](C[N@@](CC/C=C\C/1)C4)[C@H]2CC3
InChI: InChI=1S/C32H54N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h1-2,9-10,13-14,29-32H,3-8,11-12,15-28H2/b2-1-,13-9-,14-10-/t29-,30+,31+,32+/m1/s1
InChIKey: XKZBXMNTTBNTDQ-UYXCOTLJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachychalina alcaloidifera | Pachychalina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 466.7980000000004
TPSA？: 6.48
MolLogP？: 8.019800000000009
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | Activity | 8.6 | ug ml-1 | 10.1021/np060450q |
| Homo sapiens | HL-60 | Activity | 2.2 | ug ml-1 | 10.1021/np060450q |
| Homo sapiens | SF-295 | Activity | 4.5 | ug ml-1 | 10.1021/np060450q |
| None | ADMET | Activity | 1.0 | ug ml-1 | 10.1021/np060450q |