Dehydrobatzelladine C
AlkaPlorer ID: AK030325
Synonym: '', 'dehydrobatzelladine C'
IUPAC Name: 4-(diaminomethylideneamino)butyl (1R,10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene-5-carboxylate
Structure
SMILES: CCCCCCC[C@H]1C[C@H]2CCC3=C(C(=O)OCCCCNC(=N)N)C(CCCCC)=NC(=N1)N32
InChI: InChI=1S/C27H46N6O2/c1-3-5-7-8-10-13-20-19-21-15-16-23-24(25(34)35-18-12-11-17-30-26(28)29)22(14-9-6-4-2)32-27(31-20)33(21)23/h20-21H,3-19H2,1-2H3,(H4,28,29,30)/t20-,21+/m0/s1
InChIKey: OLMJSUULLUIXMS-LEWJYISDSA-N
Reference
Novel Polycyclic Guanidine Alkaloids from Two Marine Sponges of the Genus <i>Monanchora</i>
PubChem CID: 10838656
LOTUS: LTS0228397
SuperNatural Ⅲ: SN0268762-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 486.7050000000003
TPSA？: 116.16
MolLogP？: 5.035070000000004
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 37.7 | ug.mL-1 | 10.1016/j.ejmech.2011.12.029 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 37.7 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |