Isobatzelline A
AlkaPlorer ID: AK043074
Synonym: 7-Amino-6-chloro-3,4-dihydro-1-methyl-2-(methylthio)pyrrolo[4,3,2-de]quinolin-8(1H)-one
IUPAC Name: 10-amino-9-chloro-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Structure
SMILES: CSC1=C2CCN=C3C(Cl)=C(N)C(=O)C(=C32)N1C
InChI: InChI=1S/C12H12ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4,14H2,1-2H3
InChIKey: CWQZDUYOMXCYKI-UHFFFAOYSA-N
Reference
Batzellines A, B, and C. Novel pyrroloquinoline alkaloids from the sponge Batzella Sp.
PubChem CID: 10085148
CAS: 133401-01-1
LOTUS: LTS0002739
COCONUT: CNP0387158
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: 281.768
TPSA？: 60.38
MolLogP？: 1.6976000000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|