Isobatzelline A; Dechloro
AlkaPlorer ID: AK043088
Synonym: Isobatzelline B
IUPAC Name: 10-amino-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=C(N)C(=O)C(=C32)N1C
InChI: InChI=1S/C12H13N3OS/c1-15-10-9-6(12(15)17-2)3-4-14-8(9)5-7(13)11(10)16/h5H,3-4,13H2,1-2H3
InChIKey: BWQVVSNLZOCGOQ-UHFFFAOYSA-N
Reference
Batzellines A, B, and C. Novel pyrroloquinoline alkaloids from the sponge Batzella Sp.
PubChem CID: 10332216
CAS: 133401-02-2
LOTUS: LTS0070195
SuperNatural Ⅲ: SN0037525
COCONUT: CNP0316856
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: 247.323
TPSA？: 60.38
MolLogP？: 1.1311000000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|