Batzelladine D
AlkaPlorer ID: AK029463
Synonym: '(-)-Batzelladine D'
IUPAC Name: 4-(diaminomethylideneamino)butyl (1S,4S,5R,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Structure
SMILES: CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23
InChI: InChI=1S/C25H46N6O2/c1-3-4-5-6-7-8-9-12-19-17-20-13-14-21-22(18(2)29-25(30-19)31(20)21)23(32)33-16-11-10-15-28-24(26)27/h18-22H,3-17H2,1-2H3,(H,29,30)(H4,26,27,28)/t18-,19-,20+,21+,22-/m1/s1
InChIKey: ADTVXWWEQNJMHD-LXHROKJGSA-N
Reference
Three New Tricyclic Guanidine Alkaloids from the Sponge <i>Batzella </i>sp.
PubChem CID: 162848402
LOTUS: LTS0135358
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 462.6830000000002
TPSA？: 115.83
MolLogP？: 3.5027700000000017
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|