Dinorbatzelladine B; 25(N)-Dehydro
AlkaPlorer ID: AK296698
Synonym: Dinordehydrobatzelladine B, Dehydrodinorbatzelladine B
IUPAC Name: 7-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]heptyl 10-heptyl-6-methyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-5-carboxylate
Structure
SMILES: CCCCCCCC1CC2CCC3=[N+]2C(=NC(C)=C3C(=O)OCCCCCCCC2N=C(N)N3CCCC3=C2C(=O)OCCCCN=C(N)N)N1
InChI: InChI=1S/C38H61N9O4/c1-3-4-5-7-10-16-27-25-28-19-20-31-32(26(2)43-38(44-27)47(28)31)34(48)50-23-13-9-6-8-11-17-29-33(30-18-15-22-46(30)37(41)45-29)35(49)51-24-14-12-21-42-36(39)40/h27-29H,3-25H2,1-2H3,(H6,39,40,41,42,45)/p+1
InChIKey: AJCIKQLYYDXIMH-UHFFFAOYSA-O
Reference
CAS: 1187954-89-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Clathria calla | Clathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 708.973
TPSA？: 187.42
MolLogP？: 4.850520000000005
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|