Clavatadine C
AlkaPlorer ID: AK055869
Synonym: None
IUPAC Name: 7,9-dibromo-N-[4-(diaminomethylideneamino)butyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide
Structure
SMILES: N=C(N)NCCCCNC(=O)C1=NOC2(C=C(Br)C(=O)C(Br)=C2)C1
InChI: InChI=1S/C14H17Br2N5O3/c15-8-5-14(6-9(16)11(8)22)7-10(21-24-14)12(23)19-3-1-2-4-20-13(17)18/h5-6H,1-4,7H2,(H,19,23)(H4,17,18,20)
InChIKey: DMNVUXRRFZWSMP-UHFFFAOYSA-N
Reference
Clavatadines C−E, Guanidine Alkaloids from the Australian Sponge <i>Suberea clavata</i>
PubChem CID: 44139246
CAS: 1152092-56-2
LOTUS: LTS0244924
SuperNatural Ⅲ: SN0069747
NPASS: NPC45830
COCONUT: CNP0304388
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 463.1300000000001
TPSA？: 129.66
MolLogP？: 1.02127
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
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 | 17.0 | % | 10.1021/np8008013 |