Batzelline A; N-De-Me
AlkaPlorer ID: AK153539
Synonym: Batzelline B
IUPAC Name: 9-chloro-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
Structure
SMILES: CSC1=C2CCNC3=C(Cl)C(=O)C(=O)C(=C32)N1
InChI: InChI=1S/C11H9ClN2O2S/c1-17-11-4-2-3-13-7-5(4)8(14-11)10(16)9(15)6(7)12/h13-14H,2-3H2,1H3
InChIKey: UFECCEGTVFXKLD-UHFFFAOYSA-N
Reference
Batzellines A, B, and C. Novel pyrroloquinoline alkaloids from the sponge Batzella Sp.
CAS: 123064-90-4
LOTUS: LTS0230201
COCONUT: CNP0317439
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 268.725
TPSA？: 61.96
MolLogP？: 1.5551
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|