Crambescidin 359
AlkaPlorer ID: AK030339
Synonym: '', 'crambescidins 359'
IUPAC Name: None
Structure
SMILES: CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4C[C@@]5(CCC[C@H](C)O5)N=C(N2)N34)O1
InChI: InChI=1S/C21H33N3O2/c1-3-18-8-4-5-11-21(26-18)14-17-10-9-16-13-20(12-6-7-15(2)25-20)22-19(23-21)24(16)17/h4,8,15-18H,3,5-7,9-14H2,1-2H3,(H,22,23)/t15-,16-,17+,18+,20-,21+/m0/s1
InChIKey: LZFGLWWNBKSJRY-TUHKJITRSA-N
Reference
Novel Polycyclic Guanidine Alkaloids from Two Marine Sponges of the Genus <i>Monanchora</i>
PubChem CID: 10522489
LOTUS: LTS0156846
SuperNatural Ⅲ: SN0219416-02
NPASS: NPC110370
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora unguiculata | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 359.514
TPSA？: 46.09
MolLogP？: 3.699200000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 1310.0 | nM | 10.1021/acs.jnatprod.6b01079 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 520.0 | nM | 10.1021/acs.jnatprod.6b01079 |
| None | Unchecked | Ratio IC50 | 2.5 | None | 10.1021/acs.jnatprod.6b01079 |