Isobatzelline A; 3,4-Didehydro
AlkaPlorer ID: AK043114
Synonym: Isobatzelline D
IUPAC Name: 10-amino-9-chloro-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
Structure
SMILES: CSC1=C2C=CN=C3C(Cl)=C(N)C(=O)C(=C32)N1C
InChI: InChI=1S/C12H10ClN3OS/c1-16-10-6-5(12(16)18-2)3-4-15-9(6)7(13)8(14)11(10)17/h3-4H,14H2,1-2H3
InChIKey: LZIUSIOMRWTXQX-UHFFFAOYSA-N
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: 279.75199999999995
TPSA？: 60.91
MolLogP？: 2.3576000000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|