Arenosclerin D
AlkaPlorer ID: AK029907
Synonym: '', '(+)-Arenosclerin B', 'arenosclerin A', '(-)-Arenosclerin C', 'arenosclerin D', '(+)-Arenosclerin D', 'Arenosclerin A', 'Arenosclerin B', 'Arenosclerin C'
IUPAC Name: (4Z,14R,19Z,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,19,21-trien-18-ol
Structure
SMILES: OC1/C=C\C=C/CCCCCC[C@H]2CN3CC/C=C\CCCCCCC4C[C@@H](CN(C1)C4)[C@H]2CC3
InChI: InChI=1S/C32H54N2O/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/h7-8,11-12,15,19,28-32,35H,1-6,9-10,13-14,16-18,20-27H2/b11-7-,12-8-,19-15-/t28?,29-,30-,31?,32-/m0/s1
InChIKey: ZRPVSFCWSDCKJC-XYHPGWBISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachychalina alcaloidifera | Pachychalina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 482.7970000000005
TPSA？: 26.71
MolLogP？: 6.990600000000009
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-8 | Activity | 6.2 | ug ml-1 | 10.1021/np060450q |
| Homo sapiens | HL-60 | Activity | 2.1 | ug ml-1 | 10.1021/np060450q |
| Homo sapiens | SF-295 | Activity | 5.9 | ug ml-1 | 10.1021/np060450q |
| None | ADMET | Activity | 1.2 | ug ml-1 | 10.1021/np060450q |