Clavatadine E
AlkaPlorer ID: AK292650
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C(N)NCCCCN=C(O)/C(CC1=CC=C(O)C(Br)=C1)=N/O
InChI: InChI=1S/C14H20BrN5O3/c15-10-7-9(3-4-12(10)21)8-11(20-23)13(22)18-5-1-2-6-19-14(16)17/h3-4,7,21,23H,1-2,5-6,8H2,(H,18,22)(H4,16,17,19)/b20-11+
InChIKey: FHRJNEDPVPOFPW-RGVLZGJSSA-N
Reference
Clavatadines C−E, Guanidine Alkaloids from the Australian Sponge <i>Suberea clavata</i>
PubChem CID: 44139373
CAS: 1152092-58-4
LOTUS: LTS0147988
SuperNatural Ⅲ: SN0086015-01
NPASS: NPC197045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberea clavata | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 386.25
TPSA？: 147.31
MolLogP？: 1.74717
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Coagulation factor IX | Inhibition | 5.0 | % | 10.1021/np8008013 |
| Homo sapiens | Coagulation factor XI | Inhibition | 37.0 | % | 10.1021/np8008013 |