None
AlkaPlorer ID: AK324885
Synonym: None
IUPAC Name: (1S,7S,10S,16S,19S,22S,25S)-10,19,25-tribenzyl-22-[(2S)-butan-2-yl]-3,9,12,18,21,24,27-heptazatetracyclo[25.3.0.03,7.012,16]triacontane-2,8,11,17,20,23,26-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C48H59N7O7/c1-3-31(2)41-45(59)51-37(30-34-20-11-6-12-21-34)47(61)55-27-15-24-40(55)48(62)54-26-14-23-39(54)44(58)50-36(29-33-18-9-5-10-19-33)46(60)53-25-13-22-38(53)43(57)49-35(42(56)52-41)28-32-16-7-4-8-17-32/h4-12,16-21,31,35-41H,3,13-15,22-30H2,1-2H3,(H,49,57)(H,50,58)(H,51,59)(H,52,56)/t31-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey: BRPSKRBZKPOURN-YOPQPAPTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reniochalina stalagmitis | Reniochalina | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 846.0419999999997
TPSA？: 191.29
MolLogP？: 6.047600000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | HepG2 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | MGC-803 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | RPMI-8226 | Inhibition | None | % | 10.1021/np5006778 |
| None | NON-PROTEIN TARGET | Inhibition | None | % | 10.1021/np5006778 |