Batzelline A; De(methylthio)
AlkaPlorer ID: AK034639
Synonym: Batzelline C
IUPAC Name: 9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
Structure
SMILES: CN1C=C2CCNC3=C(Cl)C(=O)C(=O)C1=C32
InChI: InChI=1S/C11H9ClN2O2/c1-14-4-5-2-3-13-8-6(5)9(14)11(16)10(15)7(8)12/h4,13H,2-3H2,1H3
InChIKey: PDESZTFOYLDOBQ-UHFFFAOYSA-N
Reference
Batzelline D and Isobatzelline E from the Indopacific Sponge <i>Zyzzya </i><i>f</i><i>uliginosa</i>
PubChem CID: 2300
CAS: 123064-91-5
LOTUS: LTS0048936
SuperNatural Ⅲ: SN0282214
COCONUT: CNP0274360
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Zyzzya | None | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Batzella | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 236.658
TPSA？: 51.1
MolLogP？: 0.8435999999999999
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|