Batzelladine J
AlkaPlorer ID: AK070568
Synonym: '(-)-Batzelladine J'
IUPAC Name: 7-[(4S,6R,10S)-11-[4-(diaminomethylideneamino)butoxycarbonyl]-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),8-dien-6-yl]heptyl (1S,6S,10R)-10-heptyl-6-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate
Structure
SMILES: CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CCC6=C(C(=O)OCCCCNC(=N)N)[C@H](C)N=C(N4)N65)[C@H](C)N=C(N1)N32
InChI: InChI=1S/C41H67N9O4/c1-4-5-6-8-11-16-29-25-31-18-20-33-35(27(2)45-40(47-29)49(31)33)37(51)53-23-14-10-7-9-12-17-30-26-32-19-21-34-36(28(3)46-41(48-30)50(32)34)38(52)54-24-15-13-22-44-39(42)43/h27-32H,4-26H2,1-3H3,(H,45,47)(H,46,48)(H4,42,43,44)/t27-,28-,29+,30+,31-,32-/m0/s1
InChIKey: LEKBWNKNEQMBQD-XPCOYVNDSA-N
Reference
Alkaloids from the Sponge <i>Monanchora </i><i>u</i><i>nguifera</i>
PubChem CID: 162847455
LOTUS: LTS0221470
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 750.046
TPSA？: 169.76000000000002
MolLogP？: 5.714170000000005
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|