Clavatadine D
AlkaPlorer ID: AK076225
Synonym: None
IUPAC Name: 7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide
Structure
SMILES: N=C(N)NCCCCCNC(=O)C1=NOC2(C=C(Br)C(=O)C(Br)=C2)C1
InChI: InChI=1S/C15H19Br2N5O3/c16-9-6-15(7-10(17)12(9)23)8-11(22-25-15)13(24)20-4-2-1-3-5-21-14(18)19/h6-7H,1-5,8H2,(H,20,24)(H4,18,19,21)
InChIKey: OTXDUXAJSDNSCU-UHFFFAOYSA-N
Reference
Clavatadines C−E, Guanidine Alkaloids from the Australian Sponge <i>Suberea clavata</i>
PubChem CID: 44139244
CAS: 1152092-57-3
LOTUS: LTS0197226
SuperNatural Ⅲ: SN0275148
NPASS: NPC243106
COCONUT: CNP0302840
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 477.15700000000015
TPSA？: 129.66
MolLogP？: 1.4113699999999998
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 | 30.0 | % | 10.1021/np8008013 |